3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene

C43H27N5 — CID 177077200

IUPAC3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5c(nc(-c6ccccc6)n5-c5ccccc5)c5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C43H27N5/c1-4-16-28(17-5-1)38-33-24-12-14-26-35(33)44-43(46-38)48-36-27-15-13-25-34(36)37-40(48)32-23-11-10-22-31(32)39-41(37)47(30-20-8-3-9-21-30)42(45-39)29-18-6-2-7-19-29/h1-27H
InChIKeyPILZLYKTVURNFS-UHFFFAOYSA-N
MW613.72 g/mol
LogP10.55
Rot. Bonds4

About 3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene

3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene (PubChem CID 177077200) has the molecular formula C43H27N5 and a molecular weight of 613.72 g/mol. Its IUPAC name is 3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene.

Molecular Properties

Compound Name3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene
PubChem CID177077200
Molecular FormulaC43H27N5
Molecular Weight613.72 g/mol
Exact Mass613.23
IUPAC Name3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5c(nc(-c6ccccc6)n5-c5ccccc5)c5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C43H27N5/c1-4-16-28(17-5-1)38-33-24-12-14-26-35(33)44-43(46-38)48-36-27-15-13-25-34(36)37-40(48)32-23-11-10-22-31(32)39-41(37)47(30-20-8-3-9-21-30)42(45-39)29-18-6-2-7-19-29/h1-27H
InChIKeyPILZLYKTVURNFS-UHFFFAOYSA-N
XLogP10.55
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene with MolForge

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Related Compounds

9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672648
9-phenyl-25-(4-phenylquinazolin-2-yl)-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene
CID 140913954
14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene
CID 164589197
4,5-diphenyl-15-(4-phenylquinazolin-2-yl)-4,6,15-triazahexacyclo[11.11.0.02,10.03,7.014,22.016,21]tetracosa-1(13),2(10),3(7),5,8,11,14(22),16,18,20,23-undecaene
CID 164589066
12-phenyl-9,20-bis(4-phenylquinazolin-2-yl)-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,14,16,18-octaen-11-one
CID 164786371
3-phenyl-24-(4-phenylquinazolin-2-yl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-24-(4-phenylquinazolin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-phenyl-14-(4-phenylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 165025974
3-phenyl-24-(4-phenylquinazolin-2-yl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-phenyl-24-(4-phenylquinazolin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-phenyl-9-(4-phenylquinazolin-2-yl)-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;9-phenyl-14-(4-phenylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 165088235
9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134369954
9-phenyl-18-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672663
21,23-diphenyl-3-(4-phenylquinazolin-2-yl)-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene
CID 162483659
11,20-diphenyl-3-(4-phenylquinazolin-2-yl)-3,11,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,14,16,18-octaen-12-one
CID 164786355
21-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 89282838

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene?
The IUPAC name of 3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene (CID 177077200) is 3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene.
What is the SMILES notation for 3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene?
The canonical SMILES for 3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene is c1ccc(-c2nc(-n3c4ccccc4c4c5c(nc(-c6ccccc6)n5-c5ccccc5)c5ccccc5c43)nc3ccccc23)cc1.
What is the InChIKey of 3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene?
The InChIKey is PILZLYKTVURNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5/c1-4-16-28(17-5-1)38-33-24-12-14-26-35(33)44-43(46-38)48-36-27-15-13-25-34(36)37-40(48)32-23-11-10-22-31(32)39-41(37)47(30-20-8-3-9-21-30)42(45-39)29-18-6-2-7-19-29/h1-27H.
What are the key properties of 3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene?
3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene has a molecular weight of 613.72 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-14-(4-phenylquinazolin-2-yl)-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),4,7,9,11,15,17,19-nonaene is sourced from PubChem (CID 177077200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).