1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine

C65H54N2 — CID 177286768

IUPAC1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccc5ccccc5c4-c4ccccc4)cc(N(c4ccccc4)c4ccc(C5CCCCC5)cc4)c3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C65H54N2/c1-65(2)62-29-17-16-28-60(62)61-39-37-55(44-63(61)65)67(54-36-32-46-20-12-13-24-50(46)40-54)57-42-51(59-38-33-48-21-14-15-27-58(48)64(59)49-22-8-4-9-23-49)41-56(43-57)66(52-25-10-5-11-26-52)53-34-30-47(31-35-53)45-18-6-3-7-19-45/h4-5,8-17,20-45H,3,6-7,18-19H2,1-2H3
InChIKeyMSWTVHGDCACDET-UHFFFAOYSA-N
MW863.16 g/mol
LogP18.62
Rot. Bonds9

About 1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine

1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine (PubChem CID 177286768) has the molecular formula C65H54N2 and a molecular weight of 863.16 g/mol. Its IUPAC name is 1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
PubChem CID177286768
Molecular FormulaC65H54N2
Molecular Weight863.16 g/mol
Exact Mass862.43
IUPAC Name1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccc5ccccc5c4-c4ccccc4)cc(N(c4ccccc4)c4ccc(C5CCCCC5)cc4)c3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C65H54N2/c1-65(2)62-29-17-16-28-60(62)61-39-37-55(44-63(61)65)67(54-36-32-46-20-12-13-24-50(46)40-54)57-42-51(59-38-33-48-21-14-15-27-58(48)64(59)49-22-8-4-9-23-49)41-56(43-57)66(52-25-10-5-11-26-52)53-34-30-47(31-35-53)45-18-6-3-7-19-45/h4-5,8-17,20-45H,3,6-7,18-19H2,1-2H3
InChIKeyMSWTVHGDCACDET-UHFFFAOYSA-N
XLogP18.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.16
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-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

3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
CID 177286665
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-2-yl-4-N-(3-phenylnaphthalen-2-yl)benzene-1,4-diamine
CID 176611704
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-3-N-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 176611782
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
CID 176611821
N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
CID 171438871
N-(4-cyclohexylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500304
N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774478
N-(6-cyclohexylnaphthalen-2-yl)-N-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluoren-2-amine;N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)naphthalen-1-amine;N-(4-cyclohexylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluoren-2-amine
CID 164951510
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487
3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286747
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine?
The IUPAC name of 1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine (CID 177286768) is 1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccc5ccccc5c4-c4ccccc4)cc(N(c4ccccc4)c4ccc(C5CCCCC5)cc4)c3)c3ccc4ccccc4c3)cc21.
What is the InChIKey of 1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine?
The InChIKey is MSWTVHGDCACDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H54N2/c1-65(2)62-29-17-16-28-60(62)61-39-37-55(44-63(61)65)67(54-36-32-46-20-12-13-24-50(46)40-54)57-42-51(59-38-33-48-21-14-15-27-58(48)64(59)49-22-8-4-9-23-49)41-56(43-57)66(52-25-10-5-11-26-52)53-34-30-47(31-35-53)45-18-6-3-7-19-45/h4-5,8-17,20-45H,3,6-7,18-19H2,1-2H3.
What are the key properties of 1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine?
1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine has a molecular weight of 863.16 g/mol, XLogP of 18.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 177286768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).