9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile

C45H25N5 — CID 155080053

IUPAC9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccccc2-n2c3ccc(C#N)cc3c3cccc(C#N)c32)c1
InChIInChI=1S/C45H25N5/c46-26-29-16-21-44-40(24-29)39-12-7-8-32(28-48)45(39)50(44)41-13-4-1-9-36(41)34-23-30(27-47)22-33(25-34)31-17-19-35(20-18-31)49-42-14-5-2-10-37(42)38-11-3-6-15-43(38)49/h1-25H
InChIKeyGJRSEXXBHSFVHS-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile

9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile (PubChem CID 155080053) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile.

Molecular Properties

Compound Name9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
PubChem CID155080053
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccccc2-n2c3ccc(C#N)cc3c3cccc(C#N)c32)c1
InChIInChI=1S/C45H25N5/c46-26-29-16-21-44-40(24-29)39-12-7-8-32(28-48)45(39)50(44)41-13-4-1-9-36(41)34-23-30(27-47)22-33(25-34)31-17-19-35(20-18-31)49-42-14-5-2-10-37(42)38-11-3-6-15-43(38)49/h1-25H
InChIKeyGJRSEXXBHSFVHS-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-[3-cyano-5-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155081790
9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080166
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
CID 155080619
9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081565
9-[2-[3-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155080093
9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155079745
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080660
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155081620
9-[2-cyano-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155603815
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079670
9-[2-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079535
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile?
The IUPAC name of 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile (CID 155080053) is 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile.
What is the SMILES notation for 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile?
The canonical SMILES for 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile is N#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccccc2-n2c3ccc(C#N)cc3c3cccc(C#N)c32)c1.
What is the InChIKey of 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile?
The InChIKey is GJRSEXXBHSFVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-16-21-44-40(24-29)39-12-7-8-32(28-48)45(39)50(44)41-13-4-1-9-36(41)34-23-30(27-47)22-33(25-34)31-17-19-35(20-18-31)49-42-14-5-2-10-37(42)38-11-3-6-15-43(38)49/h1-25H.
What are the key properties of 9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile?
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile 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-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile is sourced from PubChem (CID 155080053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).