9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine

C64H60N2 — CID 70952593

IUPAC9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
SMILESCC1=CC=CC(N(c2cccc(C3=CCCC=C3)c2)c2cc(C)c3c(c2)C(C)(C)c2c-3ccc3c2C(C)(C)c2cc(N(c4cccc(C)c4)c4cccc(-c5ccccc5)c4)cc(C)c2-3)C1
InChIInChI=1S/C64H60N2/c1-41-19-15-27-49(33-41)65(51-29-17-25-47(37-51)45-21-11-9-12-22-45)53-35-43(3)59-55-31-32-56-60-44(4)36-54(40-58(60)64(7,8)62(56)61(55)63(5,6)57(59)39-53)66(50-28-16-20-42(2)34-50)52-30-18-26-48(38-52)46-23-13-10-14-24-46/h9,11-13,15-33,35-40,50H,10,14,34H2,1-8H3
InChIKeyZTKNFZNBJCGYGS-UHFFFAOYSA-N
MW857.20 g/mol
LogP17.51
Rot. Bonds8

About 9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine

9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine (PubChem CID 70952593) has the molecular formula C64H60N2 and a molecular weight of 857.20 g/mol. Its IUPAC name is 9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine.

Molecular Properties

Compound Name9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
PubChem CID70952593
Molecular FormulaC64H60N2
Molecular Weight857.20 g/mol
Exact Mass856.48
IUPAC Name9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
SMILESCC1=CC=CC(N(c2cccc(C3=CCCC=C3)c2)c2cc(C)c3c(c2)C(C)(C)c2c-3ccc3c2C(C)(C)c2cc(N(c4cccc(C)c4)c4cccc(-c5ccccc5)c4)cc(C)c2-3)C1
InChIInChI=1S/C64H60N2/c1-41-19-15-27-49(33-41)65(51-29-17-25-47(37-51)45-21-11-9-12-22-45)53-35-43(3)59-55-31-32-56-60-44(4)36-54(40-58(60)64(7,8)62(56)61(55)63(5,6)57(59)39-53)66(50-28-16-20-42(2)34-50)52-30-18-26-48(38-52)46-23-13-10-14-24-46/h9,11-13,15-33,35-40,50H,10,14,34H2,1-8H3
InChIKeyZTKNFZNBJCGYGS-UHFFFAOYSA-N
XLogP17.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.20
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-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

N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-N,3-dimethylaniline
CID 143685243
but-2-ene;N-(3-cyclohexa-1,5-dien-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 144590575
3-(7-cyclohexa-1,5-dien-1-yl-9,9-dimethylfluoren-3-yl)-N-[4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-phenylaniline;propane
CID 156827524
3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene
CID 178165636
6,6,14,14-tetramethyl-3-N,3-N,9-N,9-N-tetrakis(3-phenylphenyl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene-3,9-diamine
CID 23561331
N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline
CID 59110985
3-methyl-N-(3-methylcyclohexen-1-yl)-5-[2-methyl-4-(3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]-N-(3-methylphenyl)cyclohepta-1,4,6-trien-1-amine
CID 138600389
5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 134442738
2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine
CID 58232279
4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 90260304
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
4-cyclohexa-1,5-dien-1-yl-N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 146247654

Frequently Asked Questions

What is the IUPAC name of 9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine?
The IUPAC name of 9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine (CID 70952593) is 9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine.
What is the SMILES notation for 9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine?
The canonical SMILES for 9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine is CC1=CC=CC(N(c2cccc(C3=CCCC=C3)c2)c2cc(C)c3c(c2)C(C)(C)c2c-3ccc3c2C(C)(C)c2cc(N(c4cccc(C)c4)c4cccc(-c5ccccc5)c4)cc(C)c2-3)C1.
What is the InChIKey of 9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine?
The InChIKey is ZTKNFZNBJCGYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H60N2/c1-41-19-15-27-49(33-41)65(51-29-17-25-47(37-51)45-21-11-9-12-22-45)53-35-43(3)59-55-31-32-56-60-44(4)36-54(40-58(60)64(7,8)62(56)61(55)63(5,6)57(59)39-53)66(50-28-16-20-42(2)34-50)52-30-18-26-48(38-52)46-23-13-10-14-24-46/h9,11-13,15-33,35-40,50H,10,14,34H2,1-8H3.
What are the key properties of 9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine?
9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine has a molecular weight of 857.20 g/mol, XLogP of 17.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,7,11,11,12,12-hexamethyl-9-N-(5-methylcyclohexa-2,4-dien-1-yl)-2-N-(3-methylphenyl)-2-N-(3-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine is sourced from PubChem (CID 70952593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).