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

C46H30N4 — CID 129221693

IUPAC8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ncccc5n6-c5ccccc5)cc43)c2)cc1
InChIInChI=1S/C46H30N4/c1-4-13-31(14-5-1)35-28-40(32-15-6-2-7-16-32)48-45(30-35)50-41-20-11-10-19-37(41)38-24-22-34(29-44(38)50)33-23-25-42-39(27-33)46-43(21-12-26-47-46)49(42)36-17-8-3-9-18-36/h1-30H
InChIKeyXREPKMNFUMMEQU-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.67
Rot. Bonds5

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

8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole (PubChem CID 129221693) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole.

Molecular Properties

Compound Name8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
PubChem CID129221693
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ncccc5n6-c5ccccc5)cc43)c2)cc1
InChIInChI=1S/C46H30N4/c1-4-13-31(14-5-1)35-28-40(32-15-6-2-7-16-32)48-45(30-35)50-41-20-11-10-19-37(41)38-24-22-34(29-44(38)50)33-23-25-42-39(27-33)46-43(21-12-26-47-46)49(42)36-17-8-3-9-18-36/h1-30H
InChIKeyXREPKMNFUMMEQU-UHFFFAOYSA-N
XLogP11.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 129222031
5-(4,6-diphenyl-2-pyridinyl)-8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-8-[5-(4,6-diphenyl-2-pyridinyl)pyrido[3,2-b]indol-8-yl]pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-8-[5-(4,6-diphenylpyrimidin-2-yl)pyrido[3,2-b]indol-8-yl]pyrido[3,2-b]indole
CID 158303193
9-(4,6-diphenyl-2-pyridinyl)-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221619
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 71286771
5-(4,6-diphenyl-2-pyridinyl)-8-[9-(4,6-diphenyl-2-pyridinyl)pyrido[2,3-b]indol-6-yl]pyrido[3,2-b]indole
CID 146187839
5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-8-dibenzofuran-2-ylpyrido[3,2-b]indole;3-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenylcarbazole;8-dibenzofuran-2-yl-5-(4,6-diphenyl-2-pyridinyl)pyrido[3,2-b]indole
CID 161096989
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole
CID 160825016
5-phenyl-8-[9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 129221692
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-3-yl)-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole
CID 160846942
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 71286768

Frequently Asked Questions

What is the IUPAC name of 8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole?
The IUPAC name of 8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole (CID 129221693) is 8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole.
What is the SMILES notation for 8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole?
The canonical SMILES for 8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ncccc5n6-c5ccccc5)cc43)c2)cc1.
What is the InChIKey of 8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole?
The InChIKey is XREPKMNFUMMEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-4-13-31(14-5-1)35-28-40(32-15-6-2-7-16-32)48-45(30-35)50-41-20-11-10-19-37(41)38-24-22-34(29-44(38)50)33-23-25-42-39(27-33)46-43(21-12-26-47-46)49(42)36-17-8-3-9-18-36/h1-30H.
What are the key properties of 8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole?
8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole has a molecular weight of 638.77 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole is sourced from PubChem (CID 129221693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).