14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene

C53H34N4 — CID 163860738

IUPAC14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c2ncc2c3c3ccccc3n2-c2ccc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)cc2)cc1
InChIInChI=1S/C53H34N4/c1-3-13-37(14-4-1)53(38-15-5-2-6-16-38)45-20-10-7-18-42(45)51-50-43-19-9-12-22-47(43)57(49(50)34-55-52(51)53)40-29-25-36(26-30-40)35-23-27-39(28-24-35)56-46-21-11-8-17-41(46)44-33-54-32-31-48(44)56/h1-34H
InChIKeyPCHONAYYOYPSOT-UHFFFAOYSA-N
MW726.88 g/mol
LogP12.70
Rot. Bonds5

About 14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene

14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene (PubChem CID 163860738) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene.

Molecular Properties

Compound Name14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
PubChem CID163860738
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c2ncc2c3c3ccccc3n2-c2ccc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)cc2)cc1
InChIInChI=1S/C53H34N4/c1-3-13-37(14-4-1)53(38-15-5-2-6-16-38)45-20-10-7-18-42(45)51-50-43-19-9-12-22-47(43)57(49(50)34-55-52(51)53)40-29-25-36(26-30-40)35-23-27-39(28-24-35)56-46-21-11-8-17-41(46)44-33-54-32-31-48(44)56/h1-34H
InChIKeyPCHONAYYOYPSOT-UHFFFAOYSA-N
XLogP12.70
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene with MolForge

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Related Compounds

7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole
CID 163730968
12'-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 147774420
9,9-diphenyl-20-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 163900379
20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580544
9-[4-[4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126543721
CID 134551696
CID 134551696
5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole
CID 59344150
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 158244995
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 146187854
14,14-diphenyl-9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161419059

Frequently Asked Questions

What is the IUPAC name of 14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene?
The IUPAC name of 14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene (CID 163860738) is 14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene.
What is the SMILES notation for 14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene?
The canonical SMILES for 14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ncc2c3c3ccccc3n2-c2ccc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)cc2)cc1.
What is the InChIKey of 14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene?
The InChIKey is PCHONAYYOYPSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-3-13-37(14-4-1)53(38-15-5-2-6-16-38)45-20-10-7-18-42(45)51-50-43-19-9-12-22-47(43)57(49(50)34-55-52(51)53)40-29-25-36(26-30-40)35-23-27-39(28-24-35)56-46-21-11-8-17-41(46)44-33-54-32-31-48(44)56/h1-34H.
What are the key properties of 14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene?
14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene has a molecular weight of 726.88 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-diphenyl-9-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-9,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene is sourced from PubChem (CID 163860738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).