2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile

C46H33N3 — CID 167401892

IUPAC2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(C#N)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)cc21
InChIInChI=1S/C46H33N3/c1-46(2)39-19-9-13-23-44(39)48(34-14-4-3-5-15-34)45-27-26-32(29-40(45)46)31-24-25-33(30-47)38(28-31)37-18-8-12-22-43(37)49-41-20-10-6-16-35(41)36-17-7-11-21-42(36)49/h3-29H,1-2H3
InChIKeyQEMUZOGRXAFGAC-UHFFFAOYSA-N
MW627.79 g/mol
LogP12.10
Rot. Bonds4

About 2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile

2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile (PubChem CID 167401892) has the molecular formula C46H33N3 and a molecular weight of 627.79 g/mol. Its IUPAC name is 2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile
PubChem CID167401892
Molecular FormulaC46H33N3
Molecular Weight627.79 g/mol
Exact Mass627.27
IUPAC Name2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(C#N)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)cc21
InChIInChI=1S/C46H33N3/c1-46(2)39-19-9-13-23-44(39)48(34-14-4-3-5-15-34)45-27-26-32(29-40(45)46)31-24-25-33(30-47)38(28-31)37-18-8-12-22-43(37)49-41-20-10-6-16-35(41)36-17-7-11-21-42(36)49/h3-29H,1-2H3
InChIKeyQEMUZOGRXAFGAC-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

2-carbazol-9-yl-3-[4-cyano-3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]benzonitrile;4-carbazol-9-yl-3-[2-cyano-5-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]benzonitrile;2-carbazol-9-yl-3-[3-(9,9,10-triphenylacridin-2-yl)phenyl]benzonitrile;9-[2-cyano-6-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 159472375
4-carbazol-9-yl-3-[2-cyano-5-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]benzonitrile;2-carbazol-9-yl-3-[3-(10,10-dimethyl-9-phenyl-9H-anthracen-2-yl)phenyl]benzonitrile;2-carbazol-9-yl-3-[3-(9,9,10-triphenylacridin-2-yl)phenyl]benzonitrile;9-[2-cyano-6-[3-(9,9,10-triphenylacridin-2-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 164963662
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
5-(9,9-dimethyl-10-phenylacridin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67326458
5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile
CID 126496704
2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 175219290
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079630
5-(21,21-dimethyl-14-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile
CID 147984764
4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile
CID 134579025
4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile
CID 137368773

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile?
The IUPAC name of 2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile (CID 167401892) is 2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile.
What is the SMILES notation for 2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile?
The canonical SMILES for 2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(C#N)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)cc21.
What is the InChIKey of 2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile?
The InChIKey is QEMUZOGRXAFGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3/c1-46(2)39-19-9-13-23-44(39)48(34-14-4-3-5-15-34)45-27-26-32(29-40(45)46)31-24-25-33(30-47)38(28-31)37-18-8-12-22-43(37)49-41-20-10-6-16-35(41)36-17-7-11-21-42(36)49/h3-29H,1-2H3.
What are the key properties of 2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile?
2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)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 2-(2-carbazol-9-ylphenyl)-4-(9,9-dimethyl-10-phenylacridin-2-yl)benzonitrile is sourced from PubChem (CID 167401892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).