8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine

C49H37N — CID 143477654

IUPAC8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine
SMILESCC1=Nc2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4ccccc34)ccc2CCC1c1ccccc1
InChIInChI=1S/C49H37N/c1-33-40(35-17-7-3-8-18-35)29-27-37-25-26-39(32-47(37)50-33)48-41-21-11-13-23-43(41)49(44-24-14-12-22-42(44)48)45-30-28-38(34-15-5-2-6-16-34)31-46(45)36-19-9-4-10-20-36/h2-26,28,30-32,40H,27,29H2,1H3
InChIKeyLDQYFQRVSWAMJS-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.48
Rot. Bonds5

About 8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine

8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine (PubChem CID 143477654) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is 8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine.

Molecular Properties

Compound Name8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine
PubChem CID143477654
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC Name8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine
SMILESCC1=Nc2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4ccccc34)ccc2CCC1c1ccccc1
InChIInChI=1S/C49H37N/c1-33-40(35-17-7-3-8-18-35)29-27-37-25-26-39(32-47(37)50-33)48-41-21-11-13-23-43(41)49(44-24-14-12-22-42(44)48)45-30-28-38(34-15-5-2-6-16-34)31-46(45)36-19-9-4-10-20-36/h2-26,28,30-32,40H,27,29H2,1H3
InChIKeyLDQYFQRVSWAMJS-UHFFFAOYSA-N
XLogP13.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine 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

9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59459845
5-phenyl-2-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-4,5-dihydro-3H-1-benzazepine
CID 174264227
5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene
CID 162258725
5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene
CID 21043375
9-(2,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene
CID 159937267
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
CID 177264858
9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 142424528
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
6-[10-(2,4-diphenylphenyl)anthracen-9-yl]-1-methyl-3-(4-methylphenyl)-2-phenylindole
CID 58836128

Frequently Asked Questions

What is the IUPAC name of 8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine?
The IUPAC name of 8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine (CID 143477654) is 8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine.
What is the SMILES notation for 8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine?
The canonical SMILES for 8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine is CC1=Nc2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4ccccc34)ccc2CCC1c1ccccc1.
What is the InChIKey of 8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine?
The InChIKey is LDQYFQRVSWAMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-33-40(35-17-7-3-8-18-35)29-27-37-25-26-39(32-47(37)50-33)48-41-21-11-13-23-43(41)49(44-24-14-12-22-42(44)48)45-30-28-38(34-15-5-2-6-16-34)31-46(45)36-19-9-4-10-20-36/h2-26,28,30-32,40H,27,29H2,1H3.
What are the key properties of 8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine?
8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine has a molecular weight of 639.84 g/mol, XLogP of 13.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-(2,4-diphenylphenyl)anthracen-9-yl]-2-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine is sourced from PubChem (CID 143477654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).