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

C45H25N5 — CID 155080273

IUPAC9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cccc(C#N)c1n2-c1ccccc1-c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccc1C#N
InChIInChI=1S/C45H25N5/c46-26-29-19-22-44-40(23-29)38-15-8-10-33(28-48)45(38)50(44)43-18-6-3-14-37(43)39-25-31(20-21-32(39)27-47)30-9-7-11-34(24-30)49-41-16-4-1-12-35(41)36-13-2-5-17-42(36)49/h1-25H
InChIKeyWXKPNBQHDLHGTH-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

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

9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile (PubChem CID 155080273) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile.

Molecular Properties

Compound Name9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
PubChem CID155080273
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cccc(C#N)c1n2-c1ccccc1-c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccc1C#N
InChIInChI=1S/C45H25N5/c46-26-29-19-22-44-40(23-29)38-15-8-10-33(28-48)45(38)50(44)43-18-6-3-14-37(43)39-25-31(20-21-32(39)27-47)30-9-7-11-34(24-30)49-41-16-4-1-12-35(41)36-13-2-5-17-42(36)49/h1-25H
InChIKeyWXKPNBQHDLHGTH-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-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081162
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079630
9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081656
9-[2-cyano-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155603815
9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080166
9-[2-[3-[3-cyano-5-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155081790
9-[3-[2-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080904
9-[2-cyano-6-[3-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080276
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080660
9-[2-[3-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081646
9-[3-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080179
9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081621

Frequently Asked Questions

What is the IUPAC name of 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile?
The IUPAC name of 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile (CID 155080273) is 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile.
What is the SMILES notation for 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile?
The canonical SMILES for 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cccc(C#N)c1n2-c1ccccc1-c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccc1C#N.
What is the InChIKey of 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile?
The InChIKey is WXKPNBQHDLHGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-19-22-44-40(23-29)38-15-8-10-33(28-48)45(38)50(44)43-18-6-3-14-37(43)39-25-31(20-21-32(39)27-47)30-9-7-11-34(24-30)49-41-16-4-1-12-35(41)36-13-2-5-17-42(36)49/h1-25H.
What are the key properties of 9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile?
9-[2-[5-(3-carbazol-9-ylphenyl)-2-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-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile is sourced from PubChem (CID 155080273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).