N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine

C55H43N — CID 155221112

IUPACN-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
SMILESCc1cc(-c2cc3ccccc3c3ccccc23)cc(C)c1N(c1ccc(-c2ccccc2-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C55H43N/c1-36-32-41(51-34-40-18-8-9-21-46(40)47-22-12-13-23-48(47)51)33-37(2)54(36)56(43-30-31-50-49-24-14-15-25-52(49)55(3,4)53(50)35-43)42-28-26-39(27-29-42)45-20-11-10-19-44(45)38-16-6-5-7-17-38/h5-35H,1-4H3
InChIKeyKXRAHWZMAXXEJU-UHFFFAOYSA-N
MW717.96 g/mol
LogP15.39
Rot. Bonds6

About N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine

N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 155221112) has the molecular formula C55H43N and a molecular weight of 717.96 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID155221112
Molecular FormulaC55H43N
Molecular Weight717.96 g/mol
Exact Mass717.34
IUPAC NameN-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
SMILESCc1cc(-c2cc3ccccc3c3ccccc23)cc(C)c1N(c1ccc(-c2ccccc2-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C55H43N/c1-36-32-41(51-34-40-18-8-9-21-46(40)47-22-12-13-23-48(47)51)33-37(2)54(36)56(43-30-31-50-49-24-14-15-25-52(49)55(3,4)53(50)35-43)42-28-26-39(27-29-42)45-20-11-10-19-44(45)38-16-6-5-7-17-38/h5-35H,1-4H3
InChIKeyKXRAHWZMAXXEJU-UHFFFAOYSA-N
XLogP15.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.96
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-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

9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 163612523
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221215
9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166566462
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
CID 166956448
9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155221158
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-2-yl-4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 155623482
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-(2-methylphenyl)-4-phenanthren-9-ylphenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenanthren-9-yl-2,6-diphenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2-(2,6-dimethylphenyl)-6-methyl-4-phenanthren-9-ylphenyl]-9,9-dimethylfluoren-2-amine
CID 160792985
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
CID 118500286
N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine
CID 155220976

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine (CID 155221112) is N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine is Cc1cc(-c2cc3ccccc3c3ccccc23)cc(C)c1N(c1ccc(-c2ccccc2-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is KXRAHWZMAXXEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N/c1-36-32-41(51-34-40-18-8-9-21-46(40)47-22-12-13-23-48(47)51)33-37(2)54(36)56(43-30-31-50-49-24-14-15-25-52(49)55(3,4)53(50)35-43)42-28-26-39(27-29-42)45-20-11-10-19-44(45)38-16-6-5-7-17-38/h5-35H,1-4H3.
What are the key properties of N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine?
N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 717.96 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 155221112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).