15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

C152H92N10O3 — CID 158993888

IUPAC15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2ccc(-n3c4c(ccc5oc6ccccc6c54)c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)c6ccccc6n5)c43)cc2)cc1.c1ccc(-c2ccc(-n3c4cc5oc6ccccc6c5cc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)c6ccccc6n5)c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5cc6c(cc5n(-c5cc(-c7ccccc7)c7ccccc7c5)c34)oc3ccccc36)cc2)cc1
InChIInChI=1S/C52H32N2O.2C50H30N4O/c1-3-13-33(14-4-1)34-23-25-37(26-24-34)53-46-21-11-9-20-42(46)51-47(53)28-27-41-44-31-45-40-19-10-12-22-49(40)55-50(45)32-48(44)54(52(41)51)38-29-36-17-7-8-18-39(36)43(30-38)35-15-5-2-6-16-35;1-3-13-31(14-4-1)32-23-25-34(26-24-32)53-44-30-46-40(35-17-9-12-22-45(35)55-46)29-39(44)36-27-28-43-47(49(36)53)38-19-8-11-21-42(38)54(43)50-51-41-20-10-7-18-37(41)48(52-50)33-15-5-2-6-16-33;1-3-13-31(14-4-1)32-23-25-34(26-24-32)53-48-35(36-28-30-44-46(49(36)53)39-19-9-12-22-43(39)55-44)27-29-42-45(48)38-18-8-11-21-41(38)54(42)50-51-40-20-10-7-17-37(40)47(52-50)33-15-5-2-6-16-33/h1-32H;2*1-30H
InChIKeyJQMPPEJJFNRIOU-UHFFFAOYSA-N
MW2106.47 g/mol
LogP40.38
Rot. Bonds12

About 15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 158993888) has the molecular formula C152H92N10O3 and a molecular weight of 2106.47 g/mol. Its IUPAC name is 15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
PubChem CID158993888
Molecular FormulaC152H92N10O3
Molecular Weight2106.47 g/mol
Exact Mass2104.74
IUPAC Name15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2ccc(-n3c4c(ccc5oc6ccccc6c54)c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)c6ccccc6n5)c43)cc2)cc1.c1ccc(-c2ccc(-n3c4cc5oc6ccccc6c5cc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)c6ccccc6n5)c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5cc6c(cc5n(-c5cc(-c7ccccc7)c7ccccc7c5)c34)oc3ccccc36)cc2)cc1
InChIInChI=1S/C52H32N2O.2C50H30N4O/c1-3-13-33(14-4-1)34-23-25-37(26-24-34)53-46-21-11-9-20-42(46)51-47(53)28-27-41-44-31-45-40-19-10-12-22-49(40)55-50(45)32-48(44)54(52(41)51)38-29-36-17-7-8-18-39(36)43(30-38)35-15-5-2-6-16-35;1-3-13-31(14-4-1)32-23-25-34(26-24-32)53-44-30-46-40(35-17-9-12-22-45(35)55-46)29-39(44)36-27-28-43-47(49(36)53)38-19-8-11-21-42(38)54(43)50-51-41-20-10-7-18-37(41)48(52-50)33-15-5-2-6-16-33;1-3-13-31(14-4-1)32-23-25-34(26-24-32)53-48-35(36-28-30-44-46(49(36)53)39-19-9-12-22-43(39)55-44)27-29-42-45(48)38-18-8-11-21-41(38)54(42)50-51-40-20-10-7-17-37(40)47(52-50)33-15-5-2-6-16-33/h1-32H;2*1-30H
InChIKeyJQMPPEJJFNRIOU-UHFFFAOYSA-N
XLogP40.38
TPSA120.56 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms165
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002106.47
LogP ≤ 540.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?
The IUPAC name of 15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene (CID 158993888) is 15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2ccc(-n3c4c(ccc5oc6ccccc6c54)c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)c6ccccc6n5)c43)cc2)cc1.c1ccc(-c2ccc(-n3c4cc5oc6ccccc6c5cc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)c6ccccc6n5)c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5cc6c(cc5n(-c5cc(-c7ccccc7)c7ccccc7c5)c34)oc3ccccc36)cc2)cc1.
What is the InChIKey of 15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?
The InChIKey is JQMPPEJJFNRIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O.2C50H30N4O/c1-3-13-33(14-4-1)34-23-25-37(26-24-34)53-46-21-11-9-20-42(46)51-47(53)28-27-41-44-31-45-40-19-10-12-22-49(40)55-50(45)32-48(44)54(52(41)51)38-29-36-17-7-8-18-39(36)43(30-38)35-15-5-2-6-16-35;1-3-13-31(14-4-1)32-23-25-34(26-24-32)53-44-30-46-40(35-17-9-12-22-45(35)55-46)29-39(44)36-27-28-43-47(49(36)53)38-19-8-11-21-42(38)54(43)50-51-41-20-10-7-18-37(41)48(52-50)33-15-5-2-6-16-33;1-3-13-31(14-4-1)32-23-25-34(26-24-32)53-48-35(36-28-30-44-46(49(36)53)39-19-9-12-22-43(39)55-44)27-29-42-45(48)38-18-8-11-21-41(38)54(42)50-51-40-20-10-7-17-37(40)47(52-50)33-15-5-2-6-16-33/h1-32H;2*1-30H.
What are the key properties of 15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?
15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene has a molecular weight of 2106.47 g/mol, XLogP of 40.38, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-phenylnaphthalen-2-yl)-24-(4-phenylphenyl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-24-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 158993888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).