3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile

C34H24N5- — CID 145085579

IUPAC3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile
SMILESN#Cc1cccc(C2=NC(c3ccccc3)NC(c3cccc(-n4c5ccccc5c5ccccc54)c3)[N-]2)c1
InChIInChI=1S/C34H24N5/c35-22-23-10-8-13-25(20-23)33-36-32(24-11-2-1-3-12-24)37-34(38-33)26-14-9-15-27(21-26)39-30-18-6-4-16-28(30)29-17-5-7-19-31(29)39/h1-21,32,34,37H/q-1
InChIKeyHSCMVIQVMRGCOF-UHFFFAOYSA-N
MW502.60 g/mol
LogP7.78
Rot. Bonds4

About 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile

3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile (PubChem CID 145085579) has the molecular formula C34H24N5- and a molecular weight of 502.60 g/mol. Its IUPAC name is 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile
PubChem CID145085579
Molecular FormulaC34H24N5-
Molecular Weight502.60 g/mol
Exact Mass502.20
IUPAC Name3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile
SMILESN#Cc1cccc(C2=NC(c3ccccc3)NC(c3cccc(-n4c5ccccc5c5ccccc54)c3)[N-]2)c1
InChIInChI=1S/C34H24N5/c35-22-23-10-8-13-25(20-23)33-36-32(24-11-2-1-3-12-24)37-34(38-33)26-14-9-15-27(21-26)39-30-18-6-4-16-28(30)29-17-5-7-19-31(29)39/h1-21,32,34,37H/q-1
InChIKeyHSCMVIQVMRGCOF-UHFFFAOYSA-N
XLogP7.78
TPSA67.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.60
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-3,5-diaza-1-azanidacyclohex-3-en-2-yl]benzonitrile
CID 144943202
5-[4-(4-naphthalen-1-yl-6-phenyl-3,5-diaza-1-azanidacyclohex-2-en-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
CID 145190296
3-[2-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 90088595
3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 144596106
10-[2-(3-carbazol-9-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]triphenylene-2-carbonitrile
CID 139356615
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
3-[4,6-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]benzonitrile
CID 118259301
3-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenyl-1,2-dihydropyrimidin-4-yl]benzonitrile
CID 121322629
3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile
CID 67949347
9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 126734596
9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 126610498
3-[2-[4-[2-(3-cyanophenyl)-5-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile
CID 154950457

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile?
The IUPAC name of 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile (CID 145085579) is 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile.
What is the SMILES notation for 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile?
The canonical SMILES for 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile is N#Cc1cccc(C2=NC(c3ccccc3)NC(c3cccc(-n4c5ccccc5c5ccccc54)c3)[N-]2)c1.
What is the InChIKey of 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile?
The InChIKey is HSCMVIQVMRGCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N5/c35-22-23-10-8-13-25(20-23)33-36-32(24-11-2-1-3-12-24)37-34(38-33)26-14-9-15-27(21-26)39-30-18-6-4-16-28(30)29-17-5-7-19-31(29)39/h1-21,32,34,37H/q-1.
What are the key properties of 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile?
3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile has a molecular weight of 502.60 g/mol, XLogP of 7.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,5-diaza-3-azanidacyclohexen-2-yl]benzonitrile is sourced from PubChem (CID 145085579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).