N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline

C62H55N3 — CID 59742237

IUPACN-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline
SMILESCCC(CC(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C62H55N3/c1-5-47(43-46(4)48-25-33-56(34-26-48)65-61-23-11-9-21-59(61)60-22-10-12-24-62(60)65)49-27-35-54(36-28-49)64(58-20-14-16-45(3)42-58)55-39-31-51(32-40-55)50-29-37-53(38-30-50)63(52-17-7-6-8-18-52)57-19-13-15-44(2)41-57/h6-42,46-47H,5,43H2,1-4H3
InChIKeyIOQDUGLBKXWMKT-UHFFFAOYSA-N
MW842.14 g/mol
LogP17.69
Rot. Bonds13

About N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline

N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline (PubChem CID 59742237) has the molecular formula C62H55N3 and a molecular weight of 842.14 g/mol. Its IUPAC name is N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline
PubChem CID59742237
Molecular FormulaC62H55N3
Molecular Weight842.14 g/mol
Exact Mass841.44
IUPAC NameN-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline
SMILESCCC(CC(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C62H55N3/c1-5-47(43-46(4)48-25-33-56(34-26-48)65-61-23-11-9-21-59(61)60-22-10-12-24-62(60)65)49-27-35-54(36-28-49)64(58-20-14-16-45(3)42-58)55-39-31-51(32-40-55)50-29-37-53(38-30-50)63(52-17-7-6-8-18-52)57-19-13-15-44(2)41-57/h6-42,46-47H,5,43H2,1-4H3
InChIKeyIOQDUGLBKXWMKT-UHFFFAOYSA-N
XLogP17.69
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.14
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline 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-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 159948060
4-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 155614212
9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane
CID 158926363
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201
N-phenyl-N-[4-[5-[4-[6-[4-(N-phenylanilino)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]hexan-3-yl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 155621916
4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline
CID 155621917
N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane
CID 159506351
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole
CID 59742251
4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline
CID 67563877
N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 159634715
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline?
The IUPAC name of N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline (CID 59742237) is N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline.
What is the SMILES notation for N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline?
The canonical SMILES for N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline is CCC(CC(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)cc1.
What is the InChIKey of N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline?
The InChIKey is IOQDUGLBKXWMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H55N3/c1-5-47(43-46(4)48-25-33-56(34-26-48)65-61-23-11-9-21-59(61)60-22-10-12-24-62(60)65)49-27-35-54(36-28-49)64(58-20-14-16-45(3)42-58)55-39-31-51(32-40-55)50-29-37-53(38-30-50)63(52-17-7-6-8-18-52)57-19-13-15-44(2)41-57/h6-42,46-47H,5,43H2,1-4H3.
What are the key properties of N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline?
N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline has a molecular weight of 842.14 g/mol, XLogP of 17.69, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline is sourced from PubChem (CID 59742237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).