5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile

C36H22N4 — CID 163576090

IUPAC5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2ccccc2)cc1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C36H22N4/c37-22-31-34(21-25(23-38-31)24-11-3-1-4-12-24)40-33-18-10-8-16-28(33)30-20-19-29-27-15-7-9-17-32(27)39(35(29)36(30)40)26-13-5-2-6-14-26/h1-21,23H
InChIKeyIQAOOLWAHXHASE-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.81
Rot. Bonds3

About 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile

5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile (PubChem CID 163576090) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile
PubChem CID163576090
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2ccccc2)cc1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C36H22N4/c37-22-31-34(21-25(23-38-31)24-11-3-1-4-12-24)40-33-18-10-8-16-28(33)30-20-19-29-27-15-7-9-17-32(27)39(35(29)36(30)40)26-13-5-2-6-14-26/h1-21,23H
InChIKeyIQAOOLWAHXHASE-UHFFFAOYSA-N
XLogP8.81
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile
CID 163657438
3-[3-carbazol-9-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile
CID 139339673
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile
CID 139351898
12-[4,6-bis(6-phenyl-3-pyridinyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 58142345
12-[2,6-bis(2-phenylpyrimidin-5-yl)-4-pyridinyl]-11-phenylindolo[2,3-a]carbazole;11-(4-carbazol-9-ylphenyl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole;12-[2-(3-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 159564532
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
3-[3-isocyano-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-5-phenylpyridine-2-carbonitrile
CID 163858969
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
CID 118506333
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile (CID 163576090) is 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile is N#Cc1ncc(-c2ccccc2)cc1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile?
The InChIKey is IQAOOLWAHXHASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c37-22-31-34(21-25(23-38-31)24-11-3-1-4-12-24)40-33-18-10-8-16-28(33)30-20-19-29-27-15-7-9-17-32(27)39(35(29)36(30)40)26-13-5-2-6-14-26/h1-21,23H.
What are the key properties of 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile?
5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile has a molecular weight of 510.60 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 163576090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).