N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine

C55H39N — CID 167232505

IUPACN-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc3)ccc3cccc1c23
InChIInChI=1S/C55H39N/c1-55(2)51-21-11-10-20-49(51)54-43(33-27-39-15-12-22-52(55)53(39)54)38-25-30-41(31-26-38)56(40-28-23-37(24-29-40)36-13-4-3-5-14-36)42-32-34-48-46-18-7-6-16-44(46)45-17-8-9-19-47(45)50(48)35-42/h3-35H,1-2H3
InChIKeyGLDHVPNFASXUBS-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.41
Rot. Bonds5

About N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine

N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine (PubChem CID 167232505) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
PubChem CID167232505
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC NameN-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc3)ccc3cccc1c23
InChIInChI=1S/C55H39N/c1-55(2)51-21-11-10-20-49(51)54-43(33-27-39-15-12-22-52(55)53(39)54)38-25-30-41(31-26-38)56(40-28-23-37(24-29-40)36-13-4-3-5-14-36)42-32-34-48-46-18-7-6-16-44(46)45-17-8-9-19-47(45)50(48)35-42/h3-35H,1-2H3
InChIKeyGLDHVPNFASXUBS-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-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-(7,7-dimethyl-9-phenylbenzo[a]phenalen-1-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232118
7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232157
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118368668
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587
7,7-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]phenalen-9-amine
CID 167232028
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169019629
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine
CID 169285470
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 176605475
9,9-dimethyl-2,7-dinaphthalen-2-ylfluorene;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1,8-diphenylphenanthrene
CID 162212406
N-[3-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]triphenylen-2-amine
CID 165054985
11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine
CID 169280503

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The IUPAC name of N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine (CID 167232505) is N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The canonical SMILES for N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc3)ccc3cccc1c23.
What is the InChIKey of N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
The InChIKey is GLDHVPNFASXUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-55(2)51-21-11-10-20-49(51)54-43(33-27-39-15-12-22-52(55)53(39)54)38-25-30-41(31-26-38)56(40-28-23-37(24-29-40)36-13-4-3-5-14-36)42-32-34-48-46-18-7-6-16-44(46)45-17-8-9-19-47(45)50(48)35-42/h3-35H,1-2H3.
What are the key properties of N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine?
N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine has a molecular weight of 713.92 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 167232505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).