13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene

C39H25N5 — CID 146300919

IUPAC13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene
SMILESc1ccc(-c2nc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cn5c(cc43)nc3ccccc35)nc3ccccc23)cc1
InChIInChI=1S/C39H25N5/c1-4-14-26(15-5-1)36-30-25-43-33-23-13-12-22-32(33)40-35(43)24-34(30)44(38(36)28-18-8-3-9-19-28)39-41-31-21-11-10-20-29(31)37(42-39)27-16-6-2-7-17-27/h1-25H
InChIKeyXILAPQBTNOFWQD-UHFFFAOYSA-N
MW563.66 g/mol
LogP9.38
Rot. Bonds4

About 13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene

13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene (PubChem CID 146300919) has the molecular formula C39H25N5 and a molecular weight of 563.66 g/mol. Its IUPAC name is 13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene.

Molecular Properties

Compound Name13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene
PubChem CID146300919
Molecular FormulaC39H25N5
Molecular Weight563.66 g/mol
Exact Mass563.21
IUPAC Name13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene
SMILESc1ccc(-c2nc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cn5c(cc43)nc3ccccc35)nc3ccccc23)cc1
InChIInChI=1S/C39H25N5/c1-4-14-26(15-5-1)36-30-25-43-33-23-13-12-22-32(33)40-35(43)24-34(30)44(38(36)28-18-8-3-9-19-28)39-41-31-21-11-10-20-29(31)37(42-39)27-16-6-2-7-17-27/h1-25H
InChIKeyXILAPQBTNOFWQD-UHFFFAOYSA-N
XLogP9.38
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene with MolForge

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Related Compounds

12-(4-phenylbenzo[h]quinazolin-2-yl)-12,16,23-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
CID 139495378
7-phenyl-14-(4-phenylquinazolin-2-yl)-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
CID 159935777
9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole
CID 118317505
16-(4-phenylquinazolin-2-yl)-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene
CID 135212378
4-phenyl-2-(3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-20-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 146300923
10-(4-phenyl-6-quinazolin-2-ylpyrimidin-2-yl)-1,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-2,4,6,8,11,13,15,17,19-nonaene
CID 139495629
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
10-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517569
9,15-diphenyl-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999013
10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole
CID 139407423
4-phenyl-3-(4-phenylquinazolin-2-yl)-3,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,7,10,12,14-heptaene
CID 153391235
3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one
CID 146638528

Frequently Asked Questions

What is the IUPAC name of 13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene?
The IUPAC name of 13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene (CID 146300919) is 13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene.
What is the SMILES notation for 13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene?
The canonical SMILES for 13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene is c1ccc(-c2nc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cn5c(cc43)nc3ccccc35)nc3ccccc23)cc1.
What is the InChIKey of 13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene?
The InChIKey is XILAPQBTNOFWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5/c1-4-14-26(15-5-1)36-30-25-43-33-23-13-12-22-32(33)40-35(43)24-34(30)44(38(36)28-18-8-3-9-19-28)39-41-31-21-11-10-20-29(31)37(42-39)27-16-6-2-7-17-27/h1-25H.
What are the key properties of 13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene?
13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene has a molecular weight of 563.66 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13,14-diphenyl-12-(4-phenylquinazolin-2-yl)-1,8,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,13,15-heptaene is sourced from PubChem (CID 146300919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).