10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine

C48H54N2 — CID 166844764

IUPAC10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine
SMILESCC1=CC=C(N(c2ccccc2)C2c3ccc(C(C)C)cc3C(N(C3=CC=CCC3C)c3ccc(C)cc3)=C3C=CC(C(C)C)=CC32)CC1C
InChIInChI=1S/C48H54N2/c1-31(2)37-22-27-43-44(29-37)47(49(39-15-10-9-11-16-39)41-25-20-34(6)36(8)28-41)42-26-21-38(32(3)4)30-45(42)48(43)50(40-23-18-33(5)19-24-40)46-17-13-12-14-35(46)7/h9-13,15-27,29-32,35-36,44,47H,14,28H2,1-8H3
InChIKeyGOCGCHSHLRGSCM-UHFFFAOYSA-N
MW658.97 g/mol
LogP13.02
Rot. Bonds8

About 10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine

10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine (PubChem CID 166844764) has the molecular formula C48H54N2 and a molecular weight of 658.97 g/mol. Its IUPAC name is 10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine.

Molecular Properties

Compound Name10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine
PubChem CID166844764
Molecular FormulaC48H54N2
Molecular Weight658.97 g/mol
Exact Mass658.43
IUPAC Name10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine
SMILESCC1=CC=C(N(c2ccccc2)C2c3ccc(C(C)C)cc3C(N(C3=CC=CCC3C)c3ccc(C)cc3)=C3C=CC(C(C)C)=CC32)CC1C
InChIInChI=1S/C48H54N2/c1-31(2)37-22-27-43-44(29-37)47(49(39-15-10-9-11-16-39)41-25-20-34(6)36(8)28-41)42-26-21-38(32(3)4)30-45(42)48(43)50(40-23-18-33(5)19-24-40)46-17-13-12-14-35(46)7/h9-13,15-27,29-32,35-36,44,47H,14,28H2,1-8H3
InChIKeyGOCGCHSHLRGSCM-UHFFFAOYSA-N
XLogP13.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.97
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine 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

4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 155105871
N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-N-(4-methylhex-1-en-3-yl)-4-phenylaniline
CID 143494349
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
benzylbenzene;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenyl-1,9a-dihydroanthracene-9,10-diamine
CID 142054012
1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine
CID 130240799
3-methyl-N-phenyl-N-[4-[4-(N-(3-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 166794561
4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
CID 70920041
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline
CID 154936997
4-(2-fluoro-1,4,6,8,10,12-hexamethyl-3-aza-1-azonia-2-boratricyclo[7.3.0.03,7]dodeca-4,6,10-trien-8-yl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylaniline
CID 163716154
4-(2-anilinophenyl)-N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenylanthracen-9-amine
CID 166905607
4-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-9-tricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8(13),10-hexaenyl]-N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N-phenylcyclohepta-1,3,5-trien-1-amine
CID 166714218

Frequently Asked Questions

What is the IUPAC name of 10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine?
The IUPAC name of 10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine (CID 166844764) is 10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine.
What is the SMILES notation for 10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine?
The canonical SMILES for 10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine is CC1=CC=C(N(c2ccccc2)C2c3ccc(C(C)C)cc3C(N(C3=CC=CCC3C)c3ccc(C)cc3)=C3C=CC(C(C)C)=CC32)CC1C.
What is the InChIKey of 10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine?
The InChIKey is GOCGCHSHLRGSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H54N2/c1-31(2)37-22-27-43-44(29-37)47(49(39-15-10-9-11-16-39)41-25-20-34(6)36(8)28-41)42-26-21-38(32(3)4)30-45(42)48(43)50(40-23-18-33(5)19-24-40)46-17-13-12-14-35(46)7/h9-13,15-27,29-32,35-36,44,47H,14,28H2,1-8H3.
What are the key properties of 10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine?
10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine has a molecular weight of 658.97 g/mol, XLogP of 13.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-(4,5-dimethylcyclohexa-1,3-dien-1-yl)-9-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-N-(4-methylphenyl)-10-N-phenyl-3,7-di(propan-2-yl)-4a,10-dihydroanthracene-9,10-diamine is sourced from PubChem (CID 166844764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).