18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

C248H148N20O5 — CID 162109669

IUPAC18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccc6c7ccccc7oc6c5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7c8oc9ccccc9c8ccc7n(-c7ccccc7)c6c54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccc6c7ccccc7oc6c5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7c8oc9ccccc9c8ccc7n(-c7ccccc7)c6c54)c3)nc3ccccc23)cc1.c1ccc(-n2c3ccc4c5ccccc5oc4c3c3ccc4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)c4c32)cc1
InChIInChI=1S/4C50H30N4O.C48H28N4O/c1-3-14-31(15-4-1)46-39-22-7-10-23-41(39)51-50(52-46)32-16-13-19-34(30-32)54-42-24-11-8-20-35(42)37-26-27-40-45-43(53(48(40)47(37)54)33-17-5-2-6-18-33)29-28-38-36-21-9-12-25-44(36)55-49(38)45;1-3-14-31(15-4-1)46-39-22-7-10-23-41(39)51-50(52-46)32-16-13-19-34(30-32)54-43-29-28-38-36-21-9-12-25-44(36)55-49(38)45(43)40-27-26-37-35-20-8-11-24-42(35)53(47(37)48(40)54)33-17-5-2-6-18-33;1-3-13-31(14-4-1)32-23-25-33(26-24-32)46-39-19-7-10-20-41(39)51-50(52-46)54-42-21-11-8-17-35(42)37-27-28-40-45-43(53(48(40)47(37)54)34-15-5-2-6-16-34)30-29-38-36-18-9-12-22-44(36)55-49(38)45;1-3-13-31(14-4-1)32-23-25-33(26-24-32)46-39-19-7-10-20-41(39)51-50(52-46)54-43-30-29-38-36-18-9-12-22-44(36)55-49(38)45(43)40-28-27-37-35-17-8-11-21-42(35)53(47(37)48(40)54)34-15-5-2-6-16-34;1-2-14-32(15-3-1)51-41-27-26-36-34-17-8-11-21-42(34)53-47(36)43(41)38-25-24-35-33-16-7-10-20-40(33)52(45(35)46(38)51)48-49-39-19-9-6-18-37(39)44(50-48)31-23-22-29-12-4-5-13-30(29)28-31/h4*1-30H;1-28H
InChIKeyZFZDKPADRNKHJF-UHFFFAOYSA-N
MW3488.05 g/mol
LogP64.77
Rot. Bonds19

About 18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene (PubChem CID 162109669) has the molecular formula C248H148N20O5 and a molecular weight of 3488.05 g/mol. Its IUPAC name is 18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

Compound Name18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
PubChem CID162109669
Molecular FormulaC248H148N20O5
Molecular Weight3488.05 g/mol
Exact Mass3485.19
IUPAC Name18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccc6c7ccccc7oc6c5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7c8oc9ccccc9c8ccc7n(-c7ccccc7)c6c54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccc6c7ccccc7oc6c5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7c8oc9ccccc9c8ccc7n(-c7ccccc7)c6c54)c3)nc3ccccc23)cc1.c1ccc(-n2c3ccc4c5ccccc5oc4c3c3ccc4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)c4c32)cc1
InChIInChI=1S/4C50H30N4O.C48H28N4O/c1-3-14-31(15-4-1)46-39-22-7-10-23-41(39)51-50(52-46)32-16-13-19-34(30-32)54-42-24-11-8-20-35(42)37-26-27-40-45-43(53(48(40)47(37)54)33-17-5-2-6-18-33)29-28-38-36-21-9-12-25-44(36)55-49(38)45;1-3-14-31(15-4-1)46-39-22-7-10-23-41(39)51-50(52-46)32-16-13-19-34(30-32)54-43-29-28-38-36-21-9-12-25-44(36)55-49(38)45(43)40-27-26-37-35-20-8-11-24-42(35)53(47(37)48(40)54)33-17-5-2-6-18-33;1-3-13-31(14-4-1)32-23-25-33(26-24-32)46-39-19-7-10-20-41(39)51-50(52-46)54-42-21-11-8-17-35(42)37-27-28-40-45-43(53(48(40)47(37)54)34-15-5-2-6-16-34)30-29-38-36-18-9-12-22-44(36)55-49(38)45;1-3-13-31(14-4-1)32-23-25-33(26-24-32)46-39-19-7-10-20-41(39)51-50(52-46)54-43-30-29-38-36-18-9-12-22-44(36)55-49(38)45(43)40-28-27-37-35-17-8-11-21-42(35)53(47(37)48(40)54)34-15-5-2-6-16-34;1-2-14-32(15-3-1)51-41-27-26-36-34-17-8-11-21-42(34)53-47(36)43(41)38-25-24-35-33-16-7-10-20-40(33)52(45(35)46(38)51)48-49-39-19-9-6-18-37(39)44(50-48)31-23-22-29-12-4-5-13-30(29)28-31/h4*1-30H;1-28H
InChIKeyZFZDKPADRNKHJF-UHFFFAOYSA-N
XLogP64.77
TPSA243.90 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms273
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003488.05
LogP ≤ 564.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene?
The IUPAC name of 18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene (CID 162109669) is 18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene.
What is the SMILES notation for 18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene?
The canonical SMILES for 18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccc6c7ccccc7oc6c5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7c8oc9ccccc9c8ccc7n(-c7ccccc7)c6c54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccc6c7ccccc7oc6c5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7c8oc9ccccc9c8ccc7n(-c7ccccc7)c6c54)c3)nc3ccccc23)cc1.c1ccc(-n2c3ccc4c5ccccc5oc4c3c3ccc4c5ccccc5n(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)c4c32)cc1.
What is the InChIKey of 18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene?
The InChIKey is ZFZDKPADRNKHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C50H30N4O.C48H28N4O/c1-3-14-31(15-4-1)46-39-22-7-10-23-41(39)51-50(52-46)32-16-13-19-34(30-32)54-42-24-11-8-20-35(42)37-26-27-40-45-43(53(48(40)47(37)54)33-17-5-2-6-18-33)29-28-38-36-21-9-12-25-44(36)55-49(38)45;1-3-14-31(15-4-1)46-39-22-7-10-23-41(39)51-50(52-46)32-16-13-19-34(30-32)54-43-29-28-38-36-21-9-12-25-44(36)55-49(38)45(43)40-27-26-37-35-20-8-11-24-42(35)53(47(37)48(40)54)33-17-5-2-6-18-33;1-3-13-31(14-4-1)32-23-25-33(26-24-32)46-39-19-7-10-20-41(39)51-50(52-46)54-42-21-11-8-17-35(42)37-27-28-40-45-43(53(48(40)47(37)54)34-15-5-2-6-16-34)30-29-38-36-18-9-12-22-44(36)55-49(38)45;1-3-13-31(14-4-1)32-23-25-33(26-24-32)46-39-19-7-10-20-41(39)51-50(52-46)54-43-30-29-38-36-18-9-12-22-44(36)55-49(38)45(43)40-28-27-37-35-17-8-11-21-42(35)53(47(37)48(40)54)34-15-5-2-6-16-34;1-2-14-32(15-3-1)51-41-27-26-36-34-17-8-11-21-42(34)53-47(36)43(41)38-25-24-35-33-16-7-10-20-40(33)52(45(35)46(38)51)48-49-39-19-9-6-18-37(39)44(50-48)31-23-22-29-12-4-5-13-30(29)28-31/h4*1-30H;1-28H.
What are the key properties of 18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene?
18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene has a molecular weight of 3488.05 g/mol, XLogP of 64.77, 19 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 162109669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).