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

C59H50N2 — CID 176611704

IUPAC1-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(N(c4ccc5ccccc5c4)c4cc5ccccc5cc4-c4ccccc4)cc3)cc21
InChIInChI=1S/C59H50N2/c1-59(2)56-24-14-13-23-53(56)54-36-35-52(40-57(54)59)60(48-28-25-43(26-29-48)41-15-5-3-6-16-41)49-31-33-50(34-32-49)61(51-30-27-42-17-9-10-20-45(42)37-51)58-39-47-22-12-11-21-46(47)38-55(58)44-18-7-4-8-19-44/h4,7-14,17-41H,3,5-6,15-16H2,1-2H3
InChIKeyZLPJKIHEZHQACM-UHFFFAOYSA-N
MW787.06 g/mol
LogP16.95
Rot. Bonds8

About 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

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 (PubChem CID 176611704) has the molecular formula C59H50N2 and a molecular weight of 787.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID176611704
Molecular FormulaC59H50N2
Molecular Weight787.06 g/mol
Exact Mass786.40
IUPAC Name1-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(N(c4ccc5ccccc5c4)c4cc5ccccc5cc4-c4ccccc4)cc3)cc21
InChIInChI=1S/C59H50N2/c1-59(2)56-24-14-13-23-53(56)54-36-35-52(40-57(54)59)60(48-28-25-43(26-29-48)41-15-5-3-6-16-41)49-31-33-50(34-32-49)61(51-30-27-42-17-9-10-20-45(42)37-51)58-39-47-22-12-11-21-46(47)38-55(58)44-18-7-4-8-19-44/h4,7-14,17-41H,3,5-6,15-16H2,1-2H3
InChIKeyZLPJKIHEZHQACM-UHFFFAOYSA-N
XLogP16.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.06
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774121
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
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
N-(4-cyclohexylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500304
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
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
N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine
CID 171740912
11-N-(4-cyclohexylphenyl)-5-N-(9,9-dimethyl-3-phenylfluoren-2-yl)-5-N-naphthalen-2-yl-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660729
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
CID 171438871
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine
CID 178165633
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(N(c4ccc5ccccc5c4)c4cc5ccccc5cc4-c4ccccc4)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is ZLPJKIHEZHQACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H50N2/c1-59(2)56-24-14-13-23-53(56)54-36-35-52(40-57(54)59)60(48-28-25-43(26-29-48)41-15-5-3-6-16-41)49-31-33-50(34-32-49)61(51-30-27-42-17-9-10-20-45(42)37-51)58-39-47-22-12-11-21-46(47)38-55(58)44-18-7-4-8-19-44/h4,7-14,17-41H,3,5-6,15-16H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 787.06 g/mol, XLogP of 16.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176611704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).