N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine

C51H51N — CID 168738594

IUPACN,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2c(-c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C51H51N/c1-51(2)48-20-12-19-46(42-23-21-39(22-24-42)36-13-6-3-7-14-36)50(48)47-34-33-45(35-49(47)51)52(43-29-25-40(26-30-43)37-15-8-4-9-16-37)44-31-27-41(28-32-44)38-17-10-5-11-18-38/h3,6-7,12-14,19-35,37-38H,4-5,8-11,15-18H2,1-2H3
InChIKeyBNZWPGXCIUFBES-UHFFFAOYSA-N
MW677.98 g/mol
LogP14.89
Rot. Bonds7

About N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine

N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine (PubChem CID 168738594) has the molecular formula C51H51N and a molecular weight of 677.98 g/mol. Its IUPAC name is N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
PubChem CID168738594
Molecular FormulaC51H51N
Molecular Weight677.98 g/mol
Exact Mass677.40
IUPAC NameN,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2c(-c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C51H51N/c1-51(2)48-20-12-19-46(42-23-21-39(22-24-42)36-13-6-3-7-14-36)50(48)47-34-33-45(35-49(47)51)52(43-29-25-40(26-30-43)37-15-8-4-9-16-37)44-31-27-41(28-32-44)38-17-10-5-11-18-38/h3,6-7,12-14,19-35,37-38H,4-5,8-11,15-18H2,1-2H3
InChIKeyBNZWPGXCIUFBES-UHFFFAOYSA-N
XLogP14.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.98
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-cyclohexylphenyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171439072
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-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168771754
N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171438963
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
5-N-(4-cyclooctylphenyl)-5-N-(9,9-dimethyl-5-phenylfluoren-2-yl)-11-N,11-N-diphenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660710
7-cyclohexyl-9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285409
N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N,5-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739127
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 N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine (CID 168738594) is N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2c(-c3ccc(-c4ccccc4)cc3)cccc21.
What is the InChIKey of N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is BNZWPGXCIUFBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H51N/c1-51(2)48-20-12-19-46(42-23-21-39(22-24-42)36-13-6-3-7-14-36)50(48)47-34-33-45(35-49(47)51)52(43-29-25-40(26-30-43)37-15-8-4-9-16-37)44-31-27-41(28-32-44)38-17-10-5-11-18-38/h3,6-7,12-14,19-35,37-38H,4-5,8-11,15-18H2,1-2H3.
What are the key properties of N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine?
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 677.98 g/mol, XLogP of 14.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 168738594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).