8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole

C51H33N5 — CID 59372042

IUPAC8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3cncc(-c4ccc(-n5c6ccncc6c6cc(-c7ccccc7)ccc65)cc4)c3)cc2)cc1
InChIInChI=1S/C51H33N5/c1-3-7-34(8-4-1)38-15-21-48-44(28-38)46-32-52-25-23-50(46)55(48)42-17-11-36(12-18-42)40-27-41(31-54-30-40)37-13-19-43(20-14-37)56-49-22-16-39(35-9-5-2-6-10-35)29-45(49)47-33-53-26-24-51(47)56/h1-33H
InChIKeyVMTVRGDPZGAMGR-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

About 8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole

8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole (PubChem CID 59372042) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
PubChem CID59372042
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3cncc(-c4ccc(-n5c6ccncc6c6cc(-c7ccccc7)ccc65)cc4)c3)cc2)cc1
InChIInChI=1S/C51H33N5/c1-3-7-34(8-4-1)38-15-21-48-44(28-38)46-32-52-25-23-50(46)55(48)42-17-11-36(12-18-42)40-27-41(31-54-30-40)37-13-19-43(20-14-37)56-49-22-16-39(35-9-5-2-6-10-35)29-45(49)47-33-53-26-24-51(47)56/h1-33H
InChIKeyVMTVRGDPZGAMGR-UHFFFAOYSA-N
XLogP12.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole with MolForge

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Related Compounds

9-[4-[5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 59372075
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole
CID 70663911
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
CID 90336649
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
8-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole
CID 118968815
9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 141339083
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
N,N-diphenyl-3-[6-(3-phenylphenyl)-9-[4-(5-phenyl-3-pyridinyl)phenyl]carbazol-3-yl]aniline
CID 129294355

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole?
The IUPAC name of 8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole (CID 59372042) is 8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole is c1ccc(-c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3cncc(-c4ccc(-n5c6ccncc6c6cc(-c7ccccc7)ccc65)cc4)c3)cc2)cc1.
What is the InChIKey of 8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole?
The InChIKey is VMTVRGDPZGAMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-3-7-34(8-4-1)38-15-21-48-44(28-38)46-32-52-25-23-50(46)55(48)42-17-11-36(12-18-42)40-27-41(31-54-30-40)37-13-19-43(20-14-37)56-49-22-16-39(35-9-5-2-6-10-35)29-45(49)47-33-53-26-24-51(47)56/h1-33H.
What are the key properties of 8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole?
8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 715.86 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 59372042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).