5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole

C97H62N8 — CID 150070640

IUPAC5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc(-n4c5ccccc5c5cnccc54)cc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3)cc2)cc1
InChIInChI=1S/C97H62N8/c1-7-23-63(24-8-1)71-43-51-87-80(57-71)81-58-72(64-25-9-2-10-26-64)44-52-88(81)103(87)75-47-39-67(40-48-75)93-84(77-35-19-20-37-79(77)97-101-95(69-31-15-5-16-32-69)100-96(102-97)70-33-17-6-18-34-70)61-92(105-86-38-22-21-36-78(86)85-62-98-56-55-91(85)105)99-94(93)68-41-49-76(50-42-68)104-89-53-45-73(65-27-11-3-12-28-65)59-82(89)83-60-74(46-54-90(83)104)66-29-13-4-14-30-66/h1-62H
InChIKeyDPEUYWWRGJWCJL-UHFFFAOYSA-N
MW1339.62 g/mol
LogP24.62
Rot. Bonds13

About 5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole

5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole (PubChem CID 150070640) has the molecular formula C97H62N8 and a molecular weight of 1339.62 g/mol. Its IUPAC name is 5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole
PubChem CID150070640
Molecular FormulaC97H62N8
Molecular Weight1339.62 g/mol
Exact Mass1338.51
IUPAC Name5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc(-n4c5ccccc5c5cnccc54)cc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3)cc2)cc1
InChIInChI=1S/C97H62N8/c1-7-23-63(24-8-1)71-43-51-87-80(57-71)81-58-72(64-25-9-2-10-26-64)44-52-88(81)103(87)75-47-39-67(40-48-75)93-84(77-35-19-20-37-79(77)97-101-95(69-31-15-5-16-32-69)100-96(102-97)70-33-17-6-18-34-70)61-92(105-86-38-22-21-36-78(86)85-62-98-56-55-91(85)105)99-94(93)68-41-49-76(50-42-68)104-89-53-45-73(65-27-11-3-12-28-65)59-82(89)83-60-74(46-54-90(83)104)66-29-13-4-14-30-66/h1-62H
InChIKeyDPEUYWWRGJWCJL-UHFFFAOYSA-N
XLogP24.62
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001339.62
LogP ≤ 524.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole
CID 151344897
9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole
CID 170534028
9-phenyl-3-[4-[4-(2-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164843478
9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole
CID 164843390
9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 118698991
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 118601871
8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole
CID 158697190
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole
CID 135252602
3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 158567495
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814

Frequently Asked Questions

What is the IUPAC name of 5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole (CID 150070640) is 5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc(-n4c5ccccc5c5cnccc54)cc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3)cc2)cc1.
What is the InChIKey of 5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole?
The InChIKey is DPEUYWWRGJWCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H62N8/c1-7-23-63(24-8-1)71-43-51-87-80(57-71)81-58-72(64-25-9-2-10-26-64)44-52-88(81)103(87)75-47-39-67(40-48-75)93-84(77-35-19-20-37-79(77)97-101-95(69-31-15-5-16-32-69)100-96(102-97)70-33-17-6-18-34-70)61-92(105-86-38-22-21-36-78(86)85-62-98-56-55-91(85)105)99-94(93)68-41-49-76(50-42-68)104-89-53-45-73(65-27-11-3-12-28-65)59-82(89)83-60-74(46-54-90(83)104)66-29-13-4-14-30-66/h1-62H.
What are the key properties of 5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole?
5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole has a molecular weight of 1339.62 g/mol, XLogP of 24.62, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 150070640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).