3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile

C46H33N3 — CID 126496772

IUPAC3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3cccc(C#N)c3)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C46H33N3/c1-46(2)40-20-7-11-24-44(40)49(45-25-12-8-21-41(45)46)35-28-33(37-17-4-3-16-36(37)32-15-13-14-31(26-32)30-47)27-34(29-35)48-42-22-9-5-18-38(42)39-19-6-10-23-43(39)48/h3-29H,1-2H3
InChIKeyAYPSQYZBERECRU-UHFFFAOYSA-N
MW627.79 g/mol
LogP12.10
Rot. Bonds4

About 3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile

3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile (PubChem CID 126496772) has the molecular formula C46H33N3 and a molecular weight of 627.79 g/mol. Its IUPAC name is 3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile
PubChem CID126496772
Molecular FormulaC46H33N3
Molecular Weight627.79 g/mol
Exact Mass627.27
IUPAC Name3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3cccc(C#N)c3)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C46H33N3/c1-46(2)40-20-7-11-24-44(40)49(45-25-12-8-21-41(45)46)35-28-33(37-17-4-3-16-36(37)32-15-13-14-31(26-32)30-47)27-34(29-35)48-42-22-9-5-18-38(42)39-19-6-10-23-43(39)48/h3-29H,1-2H3
InChIKeyAYPSQYZBERECRU-UHFFFAOYSA-N
XLogP12.10
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile
CID 126496704
9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 121312489
2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile
CID 126492630
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile
CID 126496702
10-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine;9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine;9-[4-(3,5-diphenylphenyl)phenyl]carbazole
CID 160816832
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
3-carbazol-9-yl-5-[3-cyano-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 168783318
9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081651
10-[3-[2-(3,4-diisocyanophenyl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]-9,9-dimethylacridine;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile
CID 161425675
3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile
CID 129299851
3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzonitrile
CID 129225677

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile?
The IUPAC name of 3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile (CID 126496772) is 3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile is CC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3cccc(C#N)c3)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21.
What is the InChIKey of 3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile?
The InChIKey is AYPSQYZBERECRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3/c1-46(2)40-20-7-11-24-44(40)49(45-25-12-8-21-41(45)46)35-28-33(37-17-4-3-16-36(37)32-15-13-14-31(26-32)30-47)27-34(29-35)48-42-22-9-5-18-38(42)39-19-6-10-23-43(39)48/h3-29H,1-2H3.
What are the key properties of 3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile?
3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile has a molecular weight of 627.79 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 126496772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).