N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine

C57H61N — CID 155467353

IUPACN-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cc(C6CCCCC6)cc(C6CCCCC6)c5)cc4)cc3)c3cccc(C4CCCCC4)c3)cc21
InChIInChI=1S/C57H61N/c1-57(2)55-24-13-12-23-53(55)54-34-33-52(39-56(54)57)58(51-22-14-21-46(38-51)40-15-6-3-7-16-40)50-31-29-44(30-32-50)43-25-27-45(28-26-43)49-36-47(41-17-8-4-9-18-41)35-48(37-49)42-19-10-5-11-20-42/h12-14,21-42H,3-11,15-20H2,1-2H3
InChIKeyJMSFFAWQLBMXPP-UHFFFAOYSA-N
MW760.12 g/mol
LogP16.94
Rot. Bonds8

About N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine

N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 155467353) has the molecular formula C57H61N and a molecular weight of 760.12 g/mol. Its IUPAC name is N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID155467353
Molecular FormulaC57H61N
Molecular Weight760.12 g/mol
Exact Mass759.48
IUPAC NameN-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cc(C6CCCCC6)cc(C6CCCCC6)c5)cc4)cc3)c3cccc(C4CCCCC4)c3)cc21
InChIInChI=1S/C57H61N/c1-57(2)55-24-13-12-23-53(55)54-34-33-52(39-56(54)57)58(51-22-14-21-46(38-51)40-15-6-3-7-16-40)50-31-29-44(30-32-50)43-25-27-45(28-26-43)49-36-47(41-17-8-4-9-18-41)35-48(37-49)42-19-10-5-11-20-42/h12-14,21-42H,3-11,15-20H2,1-2H3
InChIKeyJMSFFAWQLBMXPP-UHFFFAOYSA-N
XLogP16.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.12
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
CID 155466814
N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467065
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
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-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487
N-[3-tert-butyl-5-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(3-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 157479942
N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467169
N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174307439
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-[3-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 161128856
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

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine (CID 155467353) is N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cc(C6CCCCC6)cc(C6CCCCC6)c5)cc4)cc3)c3cccc(C4CCCCC4)c3)cc21.
What is the InChIKey of N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is JMSFFAWQLBMXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H61N/c1-57(2)55-24-13-12-23-53(55)54-34-33-52(39-56(54)57)58(51-22-14-21-46(38-51)40-15-6-3-7-16-40)50-31-29-44(30-32-50)43-25-27-45(28-26-43)49-36-47(41-17-8-4-9-18-41)35-48(37-49)42-19-10-5-11-20-42/h12-14,21-42H,3-11,15-20H2,1-2H3.
What are the key properties of N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 760.12 g/mol, XLogP of 16.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155467353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).