15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

C146H88N8O3 — CID 159901266

IUPAC15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2ccc(-n3c4ccc5c6ccccc6oc5c4c4ccc5c(c6ccccc6n5-c5cccc6ccccc56)c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5c6oc7ccccc7c6ccc5n(-c5cccc6ccccc56)c34)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccc8oc9ccccc9c8c7n6-c6cccc7ccccc67)c54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C54H32N4O.2C46H28N2O/c1-2-14-34(15-3-1)51-40-19-6-9-21-43(40)55-54(56-51)35-25-27-36(28-26-35)57-45-22-10-7-18-38(45)39-29-31-46-49(52(39)57)42-30-32-48-50(41-20-8-11-24-47(41)59-48)53(42)58(46)44-23-12-16-33-13-4-5-17-37(33)44;1-2-11-29(12-3-1)30-21-23-32(24-22-30)47-41-27-25-35-34-16-7-9-20-42(34)49-46(35)44(41)37-26-28-40-43(45(37)47)36-17-6-8-18-39(36)48(40)38-19-10-14-31-13-4-5-15-33(31)38;1-2-11-29(12-3-1)30-21-23-32(24-22-30)47-39-18-8-6-17-36(39)43-40(47)28-26-37-44-41(27-25-35-34-16-7-9-20-42(34)49-46(35)44)48(45(37)43)38-19-10-14-31-13-4-5-15-33(31)38/h1-32H;2*1-28H
InChIKeyNVZHWATTXSHDSX-UHFFFAOYSA-N
MW2002.36 g/mol
LogP39.41
Rot. Bonds10

About 15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 159901266) has the molecular formula C146H88N8O3 and a molecular weight of 2002.36 g/mol. Its IUPAC name is 15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
PubChem CID159901266
Molecular FormulaC146H88N8O3
Molecular Weight2002.36 g/mol
Exact Mass2000.70
IUPAC Name15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2ccc(-n3c4ccc5c6ccccc6oc5c4c4ccc5c(c6ccccc6n5-c5cccc6ccccc56)c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5c6oc7ccccc7c6ccc5n(-c5cccc6ccccc56)c34)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccc8oc9ccccc9c8c7n6-c6cccc7ccccc67)c54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C54H32N4O.2C46H28N2O/c1-2-14-34(15-3-1)51-40-19-6-9-21-43(40)55-54(56-51)35-25-27-36(28-26-35)57-45-22-10-7-18-38(45)39-29-31-46-49(52(39)57)42-30-32-48-50(41-20-8-11-24-47(41)59-48)53(42)58(46)44-23-12-16-33-13-4-5-17-37(33)44;1-2-11-29(12-3-1)30-21-23-32(24-22-30)47-41-27-25-35-34-16-7-9-20-42(34)49-46(35)44(41)37-26-28-40-43(45(37)47)36-17-6-8-18-39(36)48(40)38-19-10-14-31-13-4-5-15-33(31)38;1-2-11-29(12-3-1)30-21-23-32(24-22-30)47-39-18-8-6-17-36(39)43-40(47)28-26-37-44-41(27-25-35-34-16-7-9-20-42(34)49-46(35)44)48(45(37)43)38-19-10-14-31-13-4-5-15-33(31)38/h1-32H;2*1-28H
InChIKeyNVZHWATTXSHDSX-UHFFFAOYSA-N
XLogP39.41
TPSA94.78 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms157
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002002.36
LogP ≤ 539.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?
The IUPAC name of 15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (CID 159901266) is 15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2ccc(-n3c4ccc5c6ccccc6oc5c4c4ccc5c(c6ccccc6n5-c5cccc6ccccc56)c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5c6oc7ccccc7c6ccc5n(-c5cccc6ccccc56)c34)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccc8oc9ccccc9c8c7n6-c6cccc7ccccc67)c54)cc3)nc3ccccc23)cc1.
What is the InChIKey of 15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?
The InChIKey is NVZHWATTXSHDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O.2C46H28N2O/c1-2-14-34(15-3-1)51-40-19-6-9-21-43(40)55-54(56-51)35-25-27-36(28-26-35)57-45-22-10-7-18-38(45)39-29-31-46-49(52(39)57)42-30-32-48-50(41-20-8-11-24-47(41)59-48)53(42)58(46)44-23-12-16-33-13-4-5-17-37(33)44;1-2-11-29(12-3-1)30-21-23-32(24-22-30)47-41-27-25-35-34-16-7-9-20-42(34)49-46(35)44(41)37-26-28-40-43(45(37)47)36-17-6-8-18-39(36)48(40)38-19-10-14-31-13-4-5-15-33(31)38;1-2-11-29(12-3-1)30-21-23-32(24-22-30)47-39-18-8-6-17-36(39)43-40(47)28-26-37-44-41(27-25-35-34-16-7-9-20-42(34)49-46(35)44)48(45(37)43)38-19-10-14-31-13-4-5-15-33(31)38/h1-32H;2*1-28H.
What are the key properties of 15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?
15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene has a molecular weight of 2002.36 g/mol, XLogP of 39.41, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 159901266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).