N-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline

C75H63N3 — CID 142369886

IUPACN-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline
SMILESCCc1ccc(CCCc2ccc(-c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c3)c3cc(-c4ccccc4)ccc3n6-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C75H63N3/c1-5-52-24-26-53(27-25-52)16-15-17-54-28-30-58(31-29-54)60-36-46-67-69-50-74-70(51-73(69)78(72(67)49-60)63-22-13-8-14-23-63)68-48-59(55-18-9-6-10-19-55)37-47-71(68)77(74)66-42-34-57(35-43-66)56-32-40-64(41-33-56)76(62-20-11-7-12-21-62)65-44-38-61(39-45-65)75(2,3)4/h6-14,18-51H,5,15-17H2,1-4H3
InChIKeyBDJZVCKAQLFQEG-UHFFFAOYSA-N
MW1006.35 g/mol
LogP20.39
Rot. Bonds13

About N-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline

N-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline (PubChem CID 142369886) has the molecular formula C75H63N3 and a molecular weight of 1006.35 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline
PubChem CID142369886
Molecular FormulaC75H63N3
Molecular Weight1006.35 g/mol
Exact Mass1005.50
IUPAC NameN-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline
SMILESCCc1ccc(CCCc2ccc(-c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c3)c3cc(-c4ccccc4)ccc3n6-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C75H63N3/c1-5-52-24-26-53(27-25-52)16-15-17-54-28-30-58(31-29-54)60-36-46-67-69-50-74-70(51-73(69)78(72(67)49-60)63-22-13-8-14-23-63)68-48-59(55-18-9-6-10-19-55)37-47-71(68)77(74)66-42-34-57(35-43-66)56-32-40-64(41-33-56)76(62-20-11-7-12-21-62)65-44-38-61(39-45-65)75(2,3)4/h6-14,18-51H,5,15-17H2,1-4H3
InChIKeyBDJZVCKAQLFQEG-UHFFFAOYSA-N
XLogP20.39
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.35
LogP ≤ 520.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-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

N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
4-(4-carbazol-9-ylphenyl)-N-[4-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-4-[4-(N-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-4-[4-(N-[4-(3,6-diethylcarbazol-9-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 160593676
N-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159264899
4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 158069422
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337175
N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159476241
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
3-N-(6,9-diphenylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275802
4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59844233

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline?
The IUPAC name of N-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline (CID 142369886) is N-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline?
The canonical SMILES for N-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline is CCc1ccc(CCCc2ccc(-c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c3)c3cc(-c4ccccc4)ccc3n6-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline?
The InChIKey is BDJZVCKAQLFQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H63N3/c1-5-52-24-26-53(27-25-52)16-15-17-54-28-30-58(31-29-54)60-36-46-67-69-50-74-70(51-73(69)78(72(67)49-60)63-22-13-8-14-23-63)68-48-59(55-18-9-6-10-19-55)37-47-71(68)77(74)66-42-34-57(35-43-66)56-32-40-64(41-33-56)76(62-20-11-7-12-21-62)65-44-38-61(39-45-65)75(2,3)4/h6-14,18-51H,5,15-17H2,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline?
N-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline has a molecular weight of 1006.35 g/mol, XLogP of 20.39, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[4-[3-[4-[3-(4-ethylphenyl)propyl]phenyl]-5,8-diphenylindolo[3,2-b]carbazol-11-yl]phenyl]-N-phenylaniline is sourced from PubChem (CID 142369886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).