N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine

C57H49N — CID 168771754

IUPACN-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)cccc4-c4cccc(-c5ccccc5)c4)cc3)c3ccc(C4CCCCC4)cc3)cc21
InChIInChI=1S/C57H49N/c1-57(2)54-27-13-12-24-52(54)53-37-36-49(39-55(53)57)58(47-32-28-42(29-33-47)40-16-6-3-7-17-40)48-34-30-44(31-35-48)56-50(43-20-10-5-11-21-43)25-15-26-51(56)46-23-14-22-45(38-46)41-18-8-4-9-19-41/h4-5,8-15,18-40H,3,6-7,16-17H2,1-2H3
InChIKeyVAKNNOWONITNKO-UHFFFAOYSA-N
MW748.03 g/mol
LogP16.18
Rot. Bonds8

About N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine

N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine (PubChem CID 168771754) has the molecular formula C57H49N and a molecular weight of 748.03 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
PubChem CID168771754
Molecular FormulaC57H49N
Molecular Weight748.03 g/mol
Exact Mass747.39
IUPAC NameN-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)cccc4-c4cccc(-c5ccccc5)c4)cc3)c3ccc(C4CCCCC4)cc3)cc21
InChIInChI=1S/C57H49N/c1-57(2)54-27-13-12-24-52(54)53-37-36-49(39-55(53)57)58(47-32-28-42(29-33-47)40-16-6-3-7-17-40)48-34-30-44(31-35-48)56-50(43-20-10-5-11-21-43)25-15-26-51(56)46-23-14-22-45(38-46)41-18-8-4-9-19-41/h4-5,8-15,18-40H,3,6-7,16-17H2,1-2H3
InChIKeyVAKNNOWONITNKO-UHFFFAOYSA-N
XLogP16.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.03
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
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-[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-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-[4-(4-cyclohexylphenyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171439072
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-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171438963
N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466781
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine (CID 168771754) is N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)cccc4-c4cccc(-c5ccccc5)c4)cc3)c3ccc(C4CCCCC4)cc3)cc21.
What is the InChIKey of N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is VAKNNOWONITNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H49N/c1-57(2)54-27-13-12-24-52(54)53-37-36-49(39-55(53)57)58(47-32-28-42(29-33-47)40-16-6-3-7-17-40)48-34-30-44(31-35-48)56-50(43-20-10-5-11-21-43)25-15-26-51(56)46-23-14-22-45(38-46)41-18-8-4-9-19-41/h4-5,8-15,18-40H,3,6-7,16-17H2,1-2H3.
What are the key properties of N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 748.03 g/mol, XLogP of 16.18, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 168771754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).