2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile

C46H30N4 — CID 167280235

IUPAC2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile
SMILESN#Cc1ccc(Cc2ccc(-c3cccc(N4c5ccccc5Cc5ccccc54)c3)c(C#N)c2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C46H30N4/c47-29-32-20-22-36(46(26-32)50-44-18-7-3-14-40(44)41-15-4-8-19-45(41)50)24-31-21-23-39(37(25-31)30-48)33-12-9-13-38(28-33)49-42-16-5-1-10-34(42)27-35-11-2-6-17-43(35)49/h1-23,25-26,28H,24,27H2
InChIKeyBTTKSFPNGXHYJF-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.16
Rot. Bonds5

About 2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile

2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile (PubChem CID 167280235) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile
PubChem CID167280235
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile
SMILESN#Cc1ccc(Cc2ccc(-c3cccc(N4c5ccccc5Cc5ccccc54)c3)c(C#N)c2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C46H30N4/c47-29-32-20-22-36(46(26-32)50-44-18-7-3-14-40(44)41-15-4-8-19-45(41)50)24-31-21-23-39(37(25-31)30-48)33-12-9-13-38(28-33)49-42-16-5-1-10-34(42)27-35-11-2-6-17-43(35)49/h1-23,25-26,28H,24,27H2
InChIKeyBTTKSFPNGXHYJF-UHFFFAOYSA-N
XLogP11.16
TPSA55.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile with MolForge

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Related Compounds

10-[3-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]-9H-acridine-2-carbonitrile
CID 167280260
3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079827
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958752
3-carbazol-9-yl-2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155080464
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155081782
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile
CID 155080711
2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155079829
4-[(2-carbazol-9-ylphenyl)methyl]-3-[3-(2-methylcarbazol-9-yl)phenyl]benzonitrile
CID 167280441
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080706
9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081062
5-(9H-acridin-10-yl)-2-[4-(9H-acridin-10-yl)-2-cyanophenyl]benzonitrile
CID 130419594

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile?
The IUPAC name of 2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile (CID 167280235) is 2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile.
What is the SMILES notation for 2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile?
The canonical SMILES for 2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile is N#Cc1ccc(Cc2ccc(-c3cccc(N4c5ccccc5Cc5ccccc54)c3)c(C#N)c2)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile?
The InChIKey is BTTKSFPNGXHYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c47-29-32-20-22-36(46(26-32)50-44-18-7-3-14-40(44)41-15-4-8-19-45(41)50)24-31-21-23-39(37(25-31)30-48)33-12-9-13-38(28-33)49-42-16-5-1-10-34(42)27-35-11-2-6-17-43(35)49/h1-23,25-26,28H,24,27H2.
What are the key properties of 2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile?
2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile has a molecular weight of 638.77 g/mol, XLogP of 11.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9H-acridin-10-yl)phenyl]-5-[(2-carbazol-9-yl-4-cyanophenyl)methyl]benzonitrile is sourced from PubChem (CID 167280235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).