N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline

C73H58N4 — CID 146294835

IUPACN-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
SMILESCC1C=CC=C(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)C1
InChIInChI=1S/C73H58N4/c1-55-18-17-29-73(54-55)77(66-27-15-6-16-28-66)72-52-40-61(41-53-72)60-38-50-71(51-39-60)76(65-25-13-5-14-26-65)70-48-36-59(37-49-70)58-34-46-69(47-35-58)75(64-23-11-4-12-24-64)68-44-32-57(33-45-68)56-30-42-67(43-31-56)74(62-19-7-2-8-20-62)63-21-9-3-10-22-63/h2-53,55H,54H2,1H3
InChIKeyKFFUXLYNPFCFEO-UHFFFAOYSA-N
MW991.30 g/mol
LogP20.72
Rot. Bonds15

About N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline

N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline (PubChem CID 146294835) has the molecular formula C73H58N4 and a molecular weight of 991.30 g/mol. Its IUPAC name is N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline.

Molecular Properties

Compound NameN-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
PubChem CID146294835
Molecular FormulaC73H58N4
Molecular Weight991.30 g/mol
Exact Mass990.47
IUPAC NameN-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
SMILESCC1C=CC=C(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)C1
InChIInChI=1S/C73H58N4/c1-55-18-17-29-73(54-55)77(66-27-15-6-16-28-66)72-52-40-61(41-53-72)60-38-50-71(51-39-60)76(65-25-13-5-14-26-65)70-48-36-59(37-49-70)58-34-46-69(47-35-58)75(64-23-11-4-12-24-64)68-44-32-57(33-45-68)56-30-42-67(43-31-56)74(62-19-7-2-8-20-62)63-21-9-3-10-22-63/h2-53,55H,54H2,1H3
InChIKeyKFFUXLYNPFCFEO-UHFFFAOYSA-N
XLogP20.72
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.30
LogP ≤ 520.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline 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

3-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 89375037
N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine
CID 155371747
N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 155483685
1-N-(6-methylcyclohexa-2,4-dien-1-yl)-4-N-[4-(2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N-(2-methylphenyl)-4-N-[4-(N-(2-methylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 130371059
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 138636998
3-methyl-N-[4-[4-(N-(5-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohex-3-en-1-yl]phenyl]-N-phenylaniline
CID 70831058
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544

Frequently Asked Questions

What is the IUPAC name of N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline?
The IUPAC name of N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline (CID 146294835) is N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline.
What is the SMILES notation for N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline?
The canonical SMILES for N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline is CC1C=CC=C(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)C1.
What is the InChIKey of N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline?
The InChIKey is KFFUXLYNPFCFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H58N4/c1-55-18-17-29-73(54-55)77(66-27-15-6-16-28-66)72-52-40-61(41-53-72)60-38-50-71(51-39-60)76(65-25-13-5-14-26-65)70-48-36-59(37-49-70)58-34-46-69(47-35-58)75(64-23-11-4-12-24-64)68-44-32-57(33-45-68)56-30-42-67(43-31-56)74(62-19-7-2-8-20-62)63-21-9-3-10-22-63/h2-53,55H,54H2,1H3.
What are the key properties of N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline?
N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline has a molecular weight of 991.30 g/mol, XLogP of 20.72, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline is sourced from PubChem (CID 146294835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).