1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole

C40H27N3 — CID 140902230

IUPAC1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5c4[nH]c4c(-c6ccccn6)cccc45)n3)c2)cc1
InChIInChI=1S/C40H27N3/c1-3-12-27(13-4-1)29-16-9-17-30(24-29)37-25-31(28-14-5-2-6-15-28)26-38(42-37)35-21-11-19-33-32-18-10-20-34(39(32)43-40(33)35)36-22-7-8-23-41-36/h1-26,43H
InChIKeyJWBUDOPUTAFQCW-UHFFFAOYSA-N
MW549.68 g/mol
LogP10.45
Rot. Bonds5

About 1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole

1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole (PubChem CID 140902230) has the molecular formula C40H27N3 and a molecular weight of 549.68 g/mol. Its IUPAC name is 1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole.

Molecular Properties

Compound Name1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole
PubChem CID140902230
Molecular FormulaC40H27N3
Molecular Weight549.68 g/mol
Exact Mass549.22
IUPAC Name1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5c4[nH]c4c(-c6ccccn6)cccc45)n3)c2)cc1
InChIInChI=1S/C40H27N3/c1-3-12-27(13-4-1)29-16-9-17-30(24-29)37-25-31(28-14-5-2-6-15-28)26-38(42-37)35-21-11-19-33-32-18-10-20-34(39(32)43-40(33)35)36-22-7-8-23-41-36/h1-26,43H
InChIKeyJWBUDOPUTAFQCW-UHFFFAOYSA-N
XLogP10.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.68
LogP ≤ 510.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole
CID 164788747
2,6-diphenyl-4-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140587116
1-[6-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-4-quinolin-8-yl-2-pyridinyl]-9H-carbazole
CID 140854140
2,4-bis[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-6-phenylpyrimidine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]pyridine;4-phenyl-2,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]pyrimidine
CID 159959280
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
3,6-ditert-butyl-1-[4-(6-phenylnaphthalen-2-yl)-2-pyridinyl]-8-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-9H-carbazole
CID 140902359
4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 165150706
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
3,6-difluoro-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902302
1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole
CID 140902266
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430

Frequently Asked Questions

What is the IUPAC name of 1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole?
The IUPAC name of 1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole (CID 140902230) is 1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole.
What is the SMILES notation for 1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole?
The canonical SMILES for 1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5c4[nH]c4c(-c6ccccn6)cccc45)n3)c2)cc1.
What is the InChIKey of 1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole?
The InChIKey is JWBUDOPUTAFQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3/c1-3-12-27(13-4-1)29-16-9-17-30(24-29)37-25-31(28-14-5-2-6-15-28)26-38(42-37)35-21-11-19-33-32-18-10-20-34(39(32)43-40(33)35)36-22-7-8-23-41-36/h1-26,43H.
What are the key properties of 1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole?
1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole has a molecular weight of 549.68 g/mol, XLogP of 10.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole is sourced from PubChem (CID 140902230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).