3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole

C41H27N3 — CID 118967167

IUPAC3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccn5)cc4)ccc32)cc1
InChIInChI=1S/C41H27N3/c1-2-10-31(11-3-1)43-38-15-6-4-12-33(38)35-26-29(19-23-40(35)43)30-20-24-41-36(27-30)34-13-5-7-16-39(34)44(41)32-21-17-28(18-22-32)37-14-8-9-25-42-37/h1-27H
InChIKeyKJULYYLNRBZSAX-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.61
Rot. Bonds4

About 3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole

3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole (PubChem CID 118967167) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
PubChem CID118967167
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccn5)cc4)ccc32)cc1
InChIInChI=1S/C41H27N3/c1-2-10-31(11-3-1)43-38-15-6-4-12-33(38)35-26-29(19-23-40(35)43)30-20-24-41-36(27-30)34-13-5-7-16-39(34)44(41)32-21-17-28(18-22-32)37-14-8-9-25-42-37/h1-27H
InChIKeyKJULYYLNRBZSAX-UHFFFAOYSA-N
XLogP10.61
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
CID 130326868
[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane
CID 132545707
5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole
CID 130417472
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane
CID 144541414
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
8-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587644
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113
9-(9-phenylcarbazol-3-yl)-3-pyridin-2-yl-6-(trifluoromethyl)carbazole
CID 134343625
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole (CID 118967167) is 3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccn5)cc4)ccc32)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole?
The InChIKey is KJULYYLNRBZSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-2-10-31(11-3-1)43-38-15-6-4-12-33(38)35-26-29(19-23-40(35)43)30-20-24-41-36(27-30)34-13-5-7-16-39(34)44(41)32-21-17-28(18-22-32)37-14-8-9-25-42-37/h1-27H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole?
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole has a molecular weight of 561.69 g/mol, XLogP of 10.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 118967167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).