N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine

C49H37N — CID 164929438

IUPACN-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc3ccccc3c21
InChIInChI=1S/C49H37N/c1-49(2)45-25-15-14-24-44(45)47-46(33-38-22-12-13-23-43(38)48(47)49)50(41-28-26-37(27-29-41)34-16-6-3-7-17-34)42-31-39(35-18-8-4-9-19-35)30-40(32-42)36-20-10-5-11-21-36/h3-33H,1-2H3
InChIKeyOFQUIVLCIPERIA-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.62
Rot. Bonds6

About N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine

N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine (PubChem CID 164929438) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
PubChem CID164929438
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC NameN-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc3ccccc3c21
InChIInChI=1S/C49H37N/c1-49(2)45-25-15-14-24-44(45)47-46(33-38-22-12-13-23-43(38)48(47)49)50(41-28-26-37(27-29-41)34-16-6-3-7-17-34)42-31-39(35-18-8-4-9-19-35)30-40(32-42)36-20-10-5-11-21-36/h3-33H,1-2H3
InChIKeyOFQUIVLCIPERIA-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine 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

N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929594
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929320
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929236
11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929259
N-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164929419
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-11,11-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]fluoren-6-amine
CID 164929576
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 164929204
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929570
N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929206
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929364
N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929371

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine (CID 164929438) is N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc3ccccc3c21.
What is the InChIKey of N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine?
The InChIKey is OFQUIVLCIPERIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)45-25-15-14-24-44(45)47-46(33-38-22-12-13-23-43(38)48(47)49)50(41-28-26-37(27-29-41)34-16-6-3-7-17-34)42-31-39(35-18-8-4-9-19-35)30-40(32-42)36-20-10-5-11-21-36/h3-33H,1-2H3.
What are the key properties of N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine?
N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine has a molecular weight of 639.84 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine is sourced from PubChem (CID 164929438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).