N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C57H54N2 — CID 171416148

IUPACN-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(C7CCCCC7)cc6)cc5)CC=CCC4)cc3)cc21
InChIInChI=1S/C57H54N2/c1-56(2)54-24-14-13-23-52(54)53-38-37-51(41-55(53)56)59(47-21-11-5-12-22-47)50-35-29-45(30-36-50)57(39-15-6-16-40-57)44-27-33-49(34-28-44)58(46-19-9-4-10-20-46)48-31-25-43(26-32-48)42-17-7-3-8-18-42/h4-6,9-15,19-38,41-42H,3,7-8,16-18,39-40H2,1-2H3
InChIKeyRETXAQJEOCDWDN-UHFFFAOYSA-N
MW767.07 g/mol
LogP16.01
Rot. Bonds9

About N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 171416148) has the molecular formula C57H54N2 and a molecular weight of 767.07 g/mol. Its IUPAC name is N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID171416148
Molecular FormulaC57H54N2
Molecular Weight767.07 g/mol
Exact Mass766.43
IUPAC NameN-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(C7CCCCC7)cc6)cc5)CC=CCC4)cc3)cc21
InChIInChI=1S/C57H54N2/c1-56(2)54-24-14-13-23-52(54)53-38-37-51(41-55(53)56)59(47-21-11-5-12-22-47)50-35-29-45(30-36-50)57(39-15-6-16-40-57)44-27-33-49(34-28-44)58(46-19-9-4-10-20-46)48-31-25-43(26-32-48)42-17-7-3-8-18-42/h4-6,9-15,19-38,41-42H,3,7-8,16-18,39-40H2,1-2H3
InChIKeyRETXAQJEOCDWDN-UHFFFAOYSA-N
XLogP16.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.07
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-4-propan-2-ylcyclohexyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171416263
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-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
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-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
CID 155467210
7-cyclohexyl-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 165040410
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 171439076
N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774121
N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466781

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 171416148) is N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(C7CCCCC7)cc6)cc5)CC=CCC4)cc3)cc21.
What is the InChIKey of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is RETXAQJEOCDWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H54N2/c1-56(2)54-24-14-13-23-52(54)53-38-37-51(41-55(53)56)59(47-21-11-5-12-22-47)50-35-29-45(30-36-50)57(39-15-6-16-40-57)44-27-33-49(34-28-44)58(46-19-9-4-10-20-46)48-31-25-43(26-32-48)42-17-7-3-8-18-42/h4-6,9-15,19-38,41-42H,3,7-8,16-18,39-40H2,1-2H3.
What are the key properties of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 767.07 g/mol, XLogP of 16.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohex-3-en-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 171416148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).