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

C46H30N4 — CID 90336618

IUPAC6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C46H30N4/c1-4-12-31(13-5-1)35-28-41(32-14-6-2-7-15-32)48-46(29-35)50-42-19-11-10-18-37(42)39-26-34(21-23-44(39)50)33-20-22-43-40(27-33)38-24-25-47-30-45(38)49(43)36-16-8-3-9-17-36/h1-30H
InChIKeyQCWHFSQVLPJUGF-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.67
Rot. Bonds5

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

6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole (PubChem CID 90336618) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole.

Molecular Properties

Compound Name6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole
PubChem CID90336618
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C46H30N4/c1-4-12-31(13-5-1)35-28-41(32-14-6-2-7-15-32)48-46(29-35)50-42-19-11-10-18-37(42)39-26-34(21-23-44(39)50)33-20-22-43-40(27-33)38-24-25-47-30-45(38)49(43)36-16-8-3-9-17-36/h1-30H
InChIKeyQCWHFSQVLPJUGF-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

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
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
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
9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 163966802
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole;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-(3-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;2-[9-(3-phenylphenyl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole;2-[9-(4-phenylphenyl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole;3-[9-(3-phenylphenyl)carbazol-2-yl]-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole
CID 157181475
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;2-(9-phenylcarbazol-3-yl)-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole;3-[9-(3-phenylphenyl)carbazol-2-yl]-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole
CID 161065630
3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole
CID 88866629
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573

Frequently Asked Questions

What is the IUPAC name of 6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole?
The IUPAC name of 6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole (CID 90336618) is 6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole.
What is the SMILES notation for 6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole?
The canonical SMILES for 6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole?
The InChIKey is QCWHFSQVLPJUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-4-12-31(13-5-1)35-28-41(32-14-6-2-7-15-32)48-46(29-35)50-42-19-11-10-18-37(42)39-26-34(21-23-44(39)50)33-20-22-43-40(27-33)38-24-25-47-30-45(38)49(43)36-16-8-3-9-17-36/h1-30H.
What are the key properties of 6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole?
6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-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 6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole is sourced from PubChem (CID 90336618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).