2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile

C41H26N4 — CID 163540972

IUPAC2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3ccccc3)c2)nc1-c1ccccc1
InChIInChI=1S/C41H26N4/c42-27-35-39(29-16-6-2-7-17-29)43-41(44-40(35)30-18-8-3-9-19-30)31-24-25-38(34(26-31)28-14-4-1-5-15-28)45-36-22-12-10-20-32(36)33-21-11-13-23-37(33)45/h1-26H
InChIKeyOBJIWRAFVROHHQ-UHFFFAOYSA-N
MW574.69 g/mol
LogP10.11
Rot. Bonds5

About 2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile

2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile (PubChem CID 163540972) has the molecular formula C41H26N4 and a molecular weight of 574.69 g/mol. Its IUPAC name is 2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile
PubChem CID163540972
Molecular FormulaC41H26N4
Molecular Weight574.69 g/mol
Exact Mass574.22
IUPAC Name2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3ccccc3)c2)nc1-c1ccccc1
InChIInChI=1S/C41H26N4/c42-27-35-39(29-16-6-2-7-17-29)43-41(44-40(35)30-18-8-3-9-19-30)31-24-25-38(34(26-31)28-14-4-1-5-15-28)45-36-22-12-10-20-32(36)33-21-11-13-23-37(33)45/h1-26H
InChIKeyOBJIWRAFVROHHQ-UHFFFAOYSA-N
XLogP10.11
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163995316
2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163970848
2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163625687
9-[2-[4-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139303288
2-(11,12-diphenylindolo[2,3-a]carbazol-2-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163602679
9-[2-[4-[4-carbazol-9-yl-6-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303815
4-[9-[2-[3-[2-[3-(4-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 162500780
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
4-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-2-dibenzofuran-2-yl-6-phenylpyrimidine-5-carbonitrile
CID 170253018
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163668762
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414465
9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303352

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile (CID 163540972) is 2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3ccccc3)c2)nc1-c1ccccc1.
What is the InChIKey of 2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile?
The InChIKey is OBJIWRAFVROHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4/c42-27-35-39(29-16-6-2-7-17-29)43-41(44-40(35)30-18-8-3-9-19-30)31-24-25-38(34(26-31)28-14-4-1-5-15-28)45-36-22-12-10-20-32(36)33-21-11-13-23-37(33)45/h1-26H.
What are the key properties of 2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile?
2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile has a molecular weight of 574.69 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 163540972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).