4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile

C42H27N3 — CID 155767757

IUPAC4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H27N3/c43-28-29-22-24-30(25-23-29)39-27-40(45-41(44-39)31-12-3-1-4-13-31)32-14-11-17-34(26-32)42(33-15-5-2-6-16-33)37-20-9-7-18-35(37)36-19-8-10-21-38(36)42/h1-27H
InChIKeyRAFVXZSRRPGMQV-UHFFFAOYSA-N
MW573.70 g/mol
LogP9.71
Rot. Bonds5

About 4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile

4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile (PubChem CID 155767757) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile
PubChem CID155767757
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H27N3/c43-28-29-22-24-30(25-23-29)39-27-40(45-41(44-39)31-12-3-1-4-13-31)32-14-11-17-34(26-32)42(33-15-5-2-6-16-33)37-20-9-7-18-35(37)36-19-8-10-21-38(36)42/h1-27H
InChIKeyRAFVXZSRRPGMQV-UHFFFAOYSA-N
XLogP9.71
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile 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

4-[3-[9-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]benzonitrile
CID 146539220
3-[3-[9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile
CID 146538977
2,4-diphenyl-6-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 130375062
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine
CID 130375074
4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-4-yl]benzonitrile
CID 155765165
3-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile;2-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 158844714
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
7'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 162775697
4-[4-[6-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]benzonitrile
CID 146539200
bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)
CID 162253673
4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-3-yl]benzonitrile
CID 146367825
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 157413794

Frequently Asked Questions

What is the IUPAC name of 4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile?
The IUPAC name of 4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile (CID 155767757) is 4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile?
The canonical SMILES for 4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile is N#Cc1ccc(-c2cc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile?
The InChIKey is RAFVXZSRRPGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c43-28-29-22-24-30(25-23-29)39-27-40(45-41(44-39)31-12-3-1-4-13-31)32-14-11-17-34(26-32)42(33-15-5-2-6-16-33)37-20-9-7-18-35(37)36-19-8-10-21-38(36)42/h1-27H.
What are the key properties of 4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile?
4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile has a molecular weight of 573.70 g/mol, XLogP of 9.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 155767757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).