N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

C58H57N — CID 155466781

IUPACN-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCc1ccc(-c2ccc(C3CCCCC3)cc2)cc1-c1ccc(N(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C58H57N/c1-40-18-19-49(47-26-24-44(25-27-47)42-14-8-5-9-15-42)38-55(40)48-30-34-51(35-31-48)59(52-36-37-54-53-16-10-11-17-56(53)58(2,3)57(54)39-52)50-32-28-46(29-33-50)45-22-20-43(21-23-45)41-12-6-4-7-13-41/h10-11,16-39,41-42H,4-9,12-15H2,1-3H3
InChIKeyJFUDQBAGAFDLTN-UHFFFAOYSA-N
MW768.10 g/mol
LogP16.87
Rot. Bonds8

About N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 155466781) has the molecular formula C58H57N and a molecular weight of 768.10 g/mol. Its IUPAC name is N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID155466781
Molecular FormulaC58H57N
Molecular Weight768.10 g/mol
Exact Mass767.45
IUPAC NameN-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCc1ccc(-c2ccc(C3CCCCC3)cc2)cc1-c1ccc(N(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C58H57N/c1-40-18-19-49(47-26-24-44(25-27-47)42-14-8-5-9-15-42)38-55(40)48-30-34-51(35-31-48)59(52-36-37-54-53-16-10-11-17-56(53)58(2,3)57(54)39-52)50-32-28-46(29-33-50)45-22-20-43(21-23-45)41-12-6-4-7-13-41/h10-11,16-39,41-42H,4-9,12-15H2,1-3H3
InChIKeyJFUDQBAGAFDLTN-UHFFFAOYSA-N
XLogP16.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.10
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467178
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
CID 155467210
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
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-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168771754
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
N-[4-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 160500635
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 171439076

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (CID 155466781) is N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is Cc1ccc(-c2ccc(C3CCCCC3)cc2)cc1-c1ccc(N(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is JFUDQBAGAFDLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H57N/c1-40-18-19-49(47-26-24-44(25-27-47)42-14-8-5-9-15-42)38-55(40)48-30-34-51(35-31-48)59(52-36-37-54-53-16-10-11-17-56(53)58(2,3)57(54)39-52)50-32-28-46(29-33-50)45-22-20-43(21-23-45)41-12-6-4-7-13-41/h10-11,16-39,41-42H,4-9,12-15H2,1-3H3.
What are the key properties of N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 768.10 g/mol, XLogP of 16.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155466781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).