2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile

C43H27N3 — CID 139351898

IUPAC2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1ccccc1-n1c2ccccc2c2cccc(-c3cccc4c5ccc(-c6ccccc6)cc5n(-c5ccccc5)c34)c21
InChIInChI=1S/C43H27N3/c44-28-31-15-7-9-23-39(31)46-40-24-10-8-18-33(40)35-19-11-22-38(43(35)46)37-21-12-20-36-34-26-25-30(29-13-3-1-4-14-29)27-41(34)45(42(36)37)32-16-5-2-6-17-32/h1-27H
InChIKeyPLZDEBXINRQHKA-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.09
Rot. Bonds4

About 2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile

2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile (PubChem CID 139351898) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile
PubChem CID139351898
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1ccccc1-n1c2ccccc2c2cccc(-c3cccc4c5ccc(-c6ccccc6)cc5n(-c5ccccc5)c34)c21
InChIInChI=1S/C43H27N3/c44-28-31-15-7-9-23-39(31)46-40-24-10-8-18-33(40)35-19-11-22-38(43(35)46)37-21-12-20-36-34-26-25-30(29-13-3-1-4-14-29)27-41(34)45(42(36)37)32-16-5-2-6-17-32/h1-27H
InChIKeyPLZDEBXINRQHKA-UHFFFAOYSA-N
XLogP11.09
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 153302040
9-phenyl-1-[4-(9-phenylcarbazol-2-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169280035
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155357604
9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
CID 139351913
2-[2-(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134604428
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155233044
2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232570
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483
9-[5-[3-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile
CID 152797352
triphenyl-[7-phenyl-9-(9-phenylcarbazol-1-yl)carbazol-1-yl]silane
CID 170515238

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile (CID 139351898) is 2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile is N#Cc1ccccc1-n1c2ccccc2c2cccc(-c3cccc4c5ccc(-c6ccccc6)cc5n(-c5ccccc5)c34)c21.
What is the InChIKey of 2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile?
The InChIKey is PLZDEBXINRQHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c44-28-31-15-7-9-23-39(31)46-40-24-10-8-18-33(40)35-19-11-22-38(43(35)46)37-21-12-20-36-34-26-25-30(29-13-3-1-4-14-29)27-41(34)45(42(36)37)32-16-5-2-6-17-32/h1-27H.
What are the key properties of 2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile?
2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile has a molecular weight of 585.71 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7,9-diphenylcarbazol-1-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 139351898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).