N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine

C49H36N2 — CID 155034701

IUPACN-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine
SMILESCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC7=C6C8=CC9=CC=CC=C9C=C8N7C1=CC=CC=C1)C
InChIInChI=1S/C49H36N2/c1-49(2)43-21-12-11-20-40(43)41-29-28-39(32-44(41)49)50(38-26-24-34(25-27-38)33-14-5-3-6-15-33)45-22-13-23-46-48(45)42-30-35-16-9-10-17-36(35)31-47(42)51(46)37-18-7-4-8-19-37/h3-32H,1-2H3
InChIKeyOVBHEWACLRITGK-UHFFFAOYSA-N
MW652.80 g/mol
LogP13.30
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine

N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine (PubChem CID 155034701) has the molecular formula C49H36N2 and a molecular weight of 652.80 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine
PubChem CID155034701
Molecular FormulaC49H36N2
Molecular Weight652.80 g/mol
Exact Mass652.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine
SMILESCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC7=C6C8=CC9=CC=CC=C9C=C8N7C1=CC=CC=C1)C
InChIInChI=1S/C49H36N2/c1-49(2)43-21-12-11-20-40(43)41-29-28-39(32-44(41)49)50(38-26-24-34(25-27-38)33-14-5-3-6-15-33)45-22-13-23-46-48(45)42-30-35-16-9-10-17-36(35)31-47(42)51(46)37-18-7-4-8-19-37/h3-32H,1-2H3
InChIKeyOVBHEWACLRITGK-UHFFFAOYSA-N
XLogP13.30
TPSA8.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity1160

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine (CID 155034701) is N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine is CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC7=C6C8=CC9=CC=CC=C9C=C8N7C1=CC=CC=C1)C.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine?
The InChIKey is OVBHEWACLRITGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-49(2)43-21-12-11-20-40(43)41-29-28-39(32-44(41)49)50(38-26-24-34(25-27-38)33-14-5-3-6-15-33)45-22-13-23-46-48(45)42-30-35-16-9-10-17-36(35)31-47(42)51(46)37-18-7-4-8-19-37/h3-32H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine?
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine has a molecular weight of 652.80 g/mol, XLogP of 13.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine is sourced from PubChem (CID 155034701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).