8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole

C52H34N4 — CID 129221525

IUPAC8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cccc(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)c54)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N4/c1-4-15-35(16-5-1)46-33-39(34-47(54-46)36-17-6-2-7-18-36)37-19-12-22-41(31-37)56-48-26-11-10-23-43(48)44-25-13-24-42(52(44)56)38-28-29-49-45(32-38)51-50(27-14-30-53-51)55(49)40-20-8-3-9-21-40/h1-34H
InChIKeyFILTWQPHMFNLPU-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.34
Rot. Bonds6

About 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole

8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole (PubChem CID 129221525) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole.

Molecular Properties

Compound Name8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
PubChem CID129221525
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cccc(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)c54)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N4/c1-4-15-35(16-5-1)46-33-39(34-47(54-46)36-17-6-2-7-18-36)37-19-12-22-41(31-37)56-48-26-11-10-23-43(48)44-25-13-24-42(52(44)56)38-28-29-49-45(32-38)51-50(27-14-30-53-51)55(49)40-20-8-3-9-21-40/h1-34H
InChIKeyFILTWQPHMFNLPU-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

8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
CID 129221860
5-phenyl-7-[9-[3-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]carbazol-1-yl]pyrido[3,2-b]indole
CID 158151336
5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221488
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 159364735
7-(9-phenylcarbazol-1-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-phenyl-7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,2-b]indole
CID 158647779
8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587585
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 129221991
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221363
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587590
8-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221984
5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 129222031

Frequently Asked Questions

What is the IUPAC name of 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole?
The IUPAC name of 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole (CID 129221525) is 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole.
What is the SMILES notation for 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole?
The canonical SMILES for 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cccc(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)c54)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole?
The InChIKey is FILTWQPHMFNLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-4-15-35(16-5-1)46-33-39(34-47(54-46)36-17-6-2-7-18-36)37-19-12-22-41(31-37)56-48-26-11-10-23-43(48)44-25-13-24-42(52(44)56)38-28-29-49-45(32-38)51-50(27-14-30-53-51)55(49)40-20-8-3-9-21-40/h1-34H.
What are the key properties of 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole?
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-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 8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole is sourced from PubChem (CID 129221525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).