10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile

C45H28N4 — CID 167280260

IUPAC10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile
SMILESN#Cc1ccc2c(c1)Cc1ccccc1N2c1cccc(-c2ccc(-c3ccc(C#N)cc3-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C45H28N4/c46-28-30-17-23-42-36(24-30)26-35-8-1-4-13-41(35)48(42)37-10-7-9-34(27-37)32-18-20-33(21-19-32)38-22-16-31(29-47)25-45(38)49-43-14-5-2-11-39(43)40-12-3-6-15-44(40)49/h1-25,27H,26H2
InChIKeyQNNADJYXJSCVGK-UHFFFAOYSA-N
MW624.75 g/mol
LogP11.24
Rot. Bonds4

About 10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile

10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile (PubChem CID 167280260) has the molecular formula C45H28N4 and a molecular weight of 624.75 g/mol. Its IUPAC name is 10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile.

Molecular Properties

Compound Name10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile
PubChem CID167280260
Molecular FormulaC45H28N4
Molecular Weight624.75 g/mol
Exact Mass624.23
IUPAC Name10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile
SMILESN#Cc1ccc2c(c1)Cc1ccccc1N2c1cccc(-c2ccc(-c3ccc(C#N)cc3-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C45H28N4/c46-28-30-17-23-42-36(24-30)26-35-8-1-4-13-41(35)48(42)37-10-7-9-34(27-37)32-18-20-33(21-19-32)38-22-16-31(29-47)25-45(38)49-43-14-5-2-11-39(43)40-12-3-6-15-44(40)49/h1-25,27H,26H2
InChIKeyQNNADJYXJSCVGK-UHFFFAOYSA-N
XLogP11.24
TPSA55.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.75
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081292
2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile
CID 167280235
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155079719
3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079827
9-[5-cyano-2-[3-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155079936
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155079829
3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile
CID 167336584
9-[9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 149264127
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile
CID 139319666
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile
CID 155080711

Frequently Asked Questions

What is the IUPAC name of 10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile?
The IUPAC name of 10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile (CID 167280260) is 10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile.
What is the SMILES notation for 10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile?
The canonical SMILES for 10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile is N#Cc1ccc2c(c1)Cc1ccccc1N2c1cccc(-c2ccc(-c3ccc(C#N)cc3-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of 10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile?
The InChIKey is QNNADJYXJSCVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4/c46-28-30-17-23-42-36(24-30)26-35-8-1-4-13-41(35)48(42)37-10-7-9-34(27-37)32-18-20-33(21-19-32)38-22-16-31(29-47)25-45(38)49-43-14-5-2-11-39(43)40-12-3-6-15-44(40)49/h1-25,27H,26H2.
What are the key properties of 10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile?
10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile has a molecular weight of 624.75 g/mol, XLogP of 11.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile is sourced from PubChem (CID 167280260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).