9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile

C45H25N5 — CID 155081747

IUPAC9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2ccc(-c3cccc(C#N)c3-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C45H25N5/c46-26-29-16-23-44-40(24-29)38-11-3-4-13-41(38)49(44)34-22-21-32(27-47)39(25-34)31-19-17-30(18-20-31)35-12-7-8-33(28-48)45(35)50-42-14-5-1-9-36(42)37-10-2-6-15-43(37)50/h1-25H
InChIKeyMGINEZDGOXURAC-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile

9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile (PubChem CID 155081747) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
PubChem CID155081747
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2ccc(-c3cccc(C#N)c3-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C45H25N5/c46-26-29-16-23-44-40(24-29)38-11-3-4-13-41(38)49(44)34-22-21-32(27-47)39(25-34)31-19-17-30(18-20-31)35-12-7-8-33(28-48)45(35)50-42-14-5-1-9-36(42)37-10-2-6-15-43(37)50/h1-25H
InChIKeyMGINEZDGOXURAC-UHFFFAOYSA-N
XLogP10.83
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.73
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
CID 155080619
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081749
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 154957965
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155081789
2-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079503
9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081730
9-[4-[2-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080563
9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 148589577
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728
9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 154958107
9-[2-cyano-6-(8-cyanodibenzothiophen-2-yl)phenyl]carbazole-3-carbonitrile
CID 122575971

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile (CID 155081747) is 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2ccc(-c3cccc(C#N)c3-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile?
The InChIKey is MGINEZDGOXURAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-16-23-44-40(24-29)38-11-3-4-13-41(38)49(44)34-22-21-32(27-47)39(25-34)31-19-17-30(18-20-31)35-12-7-8-33(28-48)45(35)50-42-14-5-1-9-36(42)37-10-2-6-15-43(37)50/h1-25H.
What are the key properties of 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile?
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile has a molecular weight of 635.73 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 155081747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).