N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine

C59H44N2 — CID 59844568

IUPACN-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine
SMILESCc1cc(C)cc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5C)cc4)c4ccccc34)cc2)c1
InChIInChI=1S/C59H44N2/c1-39-35-40(2)37-48(36-39)60(45-16-5-4-6-17-45)47-33-34-57-55(38-47)50-19-13-14-24-56(50)61(57)46-31-29-44(30-32-46)59-53-22-11-9-20-51(53)58(52-21-10-12-23-54(52)59)43-27-25-42(26-28-43)49-18-8-7-15-41(49)3/h4-38H,1-3H3
InChIKeyBONOIZQGYXGUGM-UHFFFAOYSA-N
MW781.01 g/mol
LogP16.49
Rot. Bonds7

About N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine

N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine (PubChem CID 59844568) has the molecular formula C59H44N2 and a molecular weight of 781.01 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine
PubChem CID59844568
Molecular FormulaC59H44N2
Molecular Weight781.01 g/mol
Exact Mass780.35
IUPAC NameN-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine
SMILESCc1cc(C)cc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5C)cc4)c4ccccc34)cc2)c1
InChIInChI=1S/C59H44N2/c1-39-35-40(2)37-48(36-39)60(45-16-5-4-6-17-45)47-33-34-57-55(38-47)50-19-13-14-24-56(50)61(57)46-31-29-44(30-32-46)59-53-22-11-9-20-51(53)58(52-21-10-12-23-54(52)59)43-27-25-42(26-28-43)49-18-8-7-15-41(49)3/h4-38H,1-3H3
InChIKeyBONOIZQGYXGUGM-UHFFFAOYSA-N
XLogP16.49
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.01
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-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

buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301600
N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 157146529
ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301599
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59501694
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N-(4-carbazol-9-ylphenyl)-4-(2-methyl-10-phenylanthracen-9-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(3-methyl-10-phenylanthracen-9-yl)-N-phenylaniline
CID 158366051

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine (CID 59844568) is N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine is Cc1cc(C)cc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5C)cc4)c4ccccc34)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine?
The InChIKey is BONOIZQGYXGUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N2/c1-39-35-40(2)37-48(36-39)60(45-16-5-4-6-17-45)47-33-34-57-55(38-47)50-19-13-14-24-56(50)61(57)46-31-29-44(30-32-46)59-53-22-11-9-20-51(53)58(52-21-10-12-23-54(52)59)43-27-25-42(26-28-43)49-18-8-7-15-41(49)3/h4-38H,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine?
N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine has a molecular weight of 781.01 g/mol, XLogP of 16.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-9-[4-[10-[4-(2-methylphenyl)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine is sourced from PubChem (CID 59844568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).