5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile

C45H25N5 — CID 155080571

IUPAC5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-c2ccccc2-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-17-22-43-39(24-29)37-12-5-6-14-40(37)49(43)33-20-18-31(19-21-33)34-9-1-2-13-38(34)45-32(28-48)23-30(27-47)25-44(45)50-41-15-7-3-10-35(41)36-11-4-8-16-42(36)50/h1-25H
InChIKeyCBYYIWQMNSDYGP-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile

5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile (PubChem CID 155080571) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
PubChem CID155080571
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-c2ccccc2-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-17-22-43-39(24-29)37-12-5-6-14-40(37)49(43)33-20-18-31(19-21-33)34-9-1-2-13-38(34)45-32(28-48)23-30(27-47)25-44(45)50-41-15-7-3-10-35(41)36-11-4-8-16-42(36)50/h1-25H
InChIKeyCBYYIWQMNSDYGP-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-(4-carbazol-9-ylphenyl)-4,6-dicyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155081498
9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155079745
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
4-(2-carbazol-9-ylphenyl)-5-[4-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081493
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-[3-cyano-2-[2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604119
4-(2-carbazol-9-ylphenyl)-5-(4-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155080495
9-[3-cyano-2-[2-[4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603584
7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958797
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079670
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile (CID 155080571) is 5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)c(-c2ccccc2-c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is CBYYIWQMNSDYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-17-22-43-39(24-29)37-12-5-6-14-40(37)49(43)33-20-18-31(19-21-33)34-9-1-2-13-38(34)45-32(28-48)23-30(27-47)25-44(45)50-41-15-7-3-10-35(41)36-11-4-8-16-42(36)50/h1-25H.
What are the key properties of 5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile?
5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-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 5-carbazol-9-yl-4-[2-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155080571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).