2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline

C49H34N2 — CID 165152163

IUPAC2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4ccc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)cc4)cc3)cc3ccccc3c21
InChIInChI=1S/C49H34N2/c1-49(2)42-15-9-8-14-40(42)45-41(30-38-12-6-7-13-39(38)46(45)49)33-20-16-31(17-21-33)32-18-22-35(23-19-32)44-29-27-37-25-24-36-26-28-43(34-10-4-3-5-11-34)50-47(36)48(37)51-44/h3-30H,1-2H3
InChIKeyNHCIXFLXVKULAS-UHFFFAOYSA-N
MW650.83 g/mol
LogP12.91
Rot. Bonds4

About 2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline

2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline (PubChem CID 165152163) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
PubChem CID165152163
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4ccc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)cc4)cc3)cc3ccccc3c21
InChIInChI=1S/C49H34N2/c1-49(2)42-15-9-8-14-40(42)45-41(30-38-12-6-7-13-39(38)46(45)49)33-20-16-31(17-21-33)32-18-22-35(23-19-32)44-29-27-37-25-24-36-26-28-43(34-10-4-3-5-11-34)50-47(36)48(37)51-44/h3-30H,1-2H3
InChIKeyNHCIXFLXVKULAS-UHFFFAOYSA-N
XLogP12.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline 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-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165152188
4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152263
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine
CID 165152145
10,10-dimethyl-12-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 139567313
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-(3,5-diphenylphenyl)-6-phenylpyridine
CID 165152041
N-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164929419
2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine
CID 165151962
11,11-dimethyl-10-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]indeno[1,2-b]quinoline
CID 139567439
4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine
CID 165152303
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4,6-diphenylpyrimidine
CID 170410073
2-[3-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 165152040
2-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 165151926

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline (CID 165152163) is 2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline is CC1(C)c2ccccc2-c2c(-c3ccc(-c4ccc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)cc4)cc3)cc3ccccc3c21.
What is the InChIKey of 2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline?
The InChIKey is NHCIXFLXVKULAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-49(2)42-15-9-8-14-40(42)45-41(30-38-12-6-7-13-39(38)46(45)49)33-20-16-31(17-21-33)32-18-22-35(23-19-32)44-29-27-37-25-24-36-26-28-43(34-10-4-3-5-11-34)50-47(36)48(37)51-44/h3-30H,1-2H3.
What are the key properties of 2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline?
2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline has a molecular weight of 650.83 g/mol, XLogP of 12.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 165152163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).