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

C97H62N8 — CID 151344897

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[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc(-n4c5ccccc5c5ncccc54)cc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3)cc2)cc1
InChIInChI=1S/C97H62N8/c1-7-24-63(25-8-1)71-45-53-86-80(58-71)81-59-72(64-26-9-2-10-27-64)46-54-87(81)103(86)75-49-41-67(42-50-75)92-84(77-36-19-20-37-78(77)97-101-95(69-32-15-5-16-33-69)100-96(102-97)70-34-17-6-18-35-70)62-91(105-85-39-22-21-38-79(85)94-90(105)40-23-57-98-94)99-93(92)68-43-51-76(52-44-68)104-88-55-47-73(65-28-11-3-12-29-65)60-82(88)83-61-74(48-56-89(83)104)66-30-13-4-14-31-66/h1-62H
InChIKeyOLGDXVZHKFAECT-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[3,2-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[3,2-b]indole (PubChem CID 151344897) 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[3,2-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[3,2-b]indole
PubChem CID151344897
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[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc(-n4c5ccccc5c5ncccc54)cc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3)cc2)cc1
InChIInChI=1S/C97H62N8/c1-7-24-63(25-8-1)71-45-53-86-80(58-71)81-59-72(64-26-9-2-10-27-64)46-54-87(81)103(86)75-49-41-67(42-50-75)92-84(77-36-19-20-37-78(77)97-101-95(69-32-15-5-16-33-69)100-96(102-97)70-34-17-6-18-35-70)62-91(105-85-39-22-21-38-79(85)94-90(105)40-23-57-98-94)99-93(92)68-43-51-76(52-44-68)104-88-55-47-73(65-28-11-3-12-29-65)60-82(88)83-61-74(48-56-89(83)104)66-30-13-4-14-31-66/h1-62H
InChIKeyOLGDXVZHKFAECT-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[3,2-b]indole with MolForge

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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[4,3-b]indole
CID 150070640
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
5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole
CID 131996675
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587602
8-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-5-phenylpyrido[3,2-b]indole
CID 88886611
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
9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole
CID 151211237
9-phenyl-3-[4-[4-(2-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164843478
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-phenylpyrido[4,3-b]indole;8-(9-phenylcarbazol-1-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 161153615
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole
CID 177079103
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]-9-phenylcarbazole
CID 177079188

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[3,2-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[3,2-b]indole (CID 151344897) 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[3,2-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[3,2-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[3,2-b]indole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc(-n4c5ccccc5c5ncccc54)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[3,2-b]indole?
The InChIKey is OLGDXVZHKFAECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H62N8/c1-7-24-63(25-8-1)71-45-53-86-80(58-71)81-59-72(64-26-9-2-10-27-64)46-54-87(81)103(86)75-49-41-67(42-50-75)92-84(77-36-19-20-37-78(77)97-101-95(69-32-15-5-16-33-69)100-96(102-97)70-34-17-6-18-35-70)62-91(105-85-39-22-21-38-79(85)94-90(105)40-23-57-98-94)99-93(92)68-43-51-76(52-44-68)104-88-55-47-73(65-28-11-3-12-29-65)60-82(88)83-61-74(48-56-89(83)104)66-30-13-4-14-31-66/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[3,2-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[3,2-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[3,2-b]indole is sourced from PubChem (CID 151344897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).