9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole

C52H34N4 — CID 118587050

IUPAC9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c5cccnc54)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N4/c1-4-15-35(16-5-1)46-32-39(33-47(54-46)36-17-6-2-7-18-36)37-19-12-22-41(31-37)56-50-34-38(28-29-43(50)44-25-14-30-53-52(44)56)42-24-13-27-49-51(42)45-23-10-11-26-48(45)55(49)40-20-8-3-9-21-40/h1-34H
InChIKeyFLUKWJLYVBPVTD-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.34
Rot. Bonds6

About 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole

9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole (PubChem CID 118587050) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
PubChem CID118587050
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c5cccnc54)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N4/c1-4-15-35(16-5-1)46-32-39(33-47(54-46)36-17-6-2-7-18-36)37-19-12-22-41(31-37)56-50-34-38(28-29-43(50)44-25-14-30-53-52(44)56)42-24-13-27-49-51(42)45-23-10-11-26-48(45)55(49)40-20-8-3-9-21-40/h1-34H
InChIKeyFLUKWJLYVBPVTD-UHFFFAOYSA-N
XLogP13.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;9-phenyl-7-[9-[3-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]carbazol-4-yl]pyrido[2,3-b]indole
CID 161116554
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 158281604
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221363
7-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221779
6-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 159460585
6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221841
9-(3,5-dipyridin-2-ylphenyl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 129221784
7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587684
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
CID 129221860
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221621
6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 157443985

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole (CID 118587050) is 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole is c1ccc(-c2cc(-c3cccc(-n4c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c5cccnc54)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole?
The InChIKey is FLUKWJLYVBPVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-4-15-35(16-5-1)46-32-39(33-47(54-46)36-17-6-2-7-18-36)37-19-12-22-41(31-37)56-50-34-38(28-29-43(50)44-25-14-30-53-52(44)56)42-24-13-27-49-51(42)45-23-10-11-26-48(45)55(49)40-20-8-3-9-21-40/h1-34H.
What are the key properties of 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole?
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole has a molecular weight of 714.87 g/mol, XLogP of 13.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 118587050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).