N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine

C51H51N — CID 168738709

IUPACN,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2cc(-c3ccccc3)c(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)cc21
InChIInChI=1S/C51H51N/c1-51(2)48-33-42(38-19-11-5-12-20-38)27-32-45(48)47-34-46(41-21-13-6-14-22-41)50(35-49(47)51)52(43-28-23-39(24-29-43)36-15-7-3-8-16-36)44-30-25-40(26-31-44)37-17-9-4-10-18-37/h5-6,11-14,19-37H,3-4,7-10,15-18H2,1-2H3
InChIKeyJKRINSQGVBGRKB-UHFFFAOYSA-N
MW677.98 g/mol
LogP14.89
Rot. Bonds7

About N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine

N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine (PubChem CID 168738709) 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-3,7-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
PubChem CID168738709
Molecular FormulaC51H51N
Molecular Weight677.98 g/mol
Exact Mass677.40
IUPAC NameN,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2cc(-c3ccccc3)c(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)cc21
InChIInChI=1S/C51H51N/c1-51(2)48-33-42(38-19-11-5-12-20-38)27-32-45(48)47-34-46(41-21-13-6-14-22-41)50(35-49(47)51)52(43-28-23-39(24-29-43)36-15-7-3-8-16-36)44-30-25-40(26-31-44)37-17-9-4-10-18-37/h5-6,11-14,19-37H,3-4,7-10,15-18H2,1-2H3
InChIKeyJKRINSQGVBGRKB-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-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168738962
N-(4-cyclohexylphenyl)-9,9-dimethyl-3-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 168739067
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-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine
CID 168738530
N-(4-cyclohexylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500304
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168739128
5-N-(4-cyclooctylphenyl)-5-N-(9,9-dimethyl-3-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 170660802
5-N,11-N-bis(4-cyclohexylphenyl)-5-N-(9,9-dimethyl-3-phenylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660890
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-N,3-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738726
N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774121
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168771754

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine?
The IUPAC name of N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine (CID 168738709) is N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine.
What is the SMILES notation for N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine?
The canonical SMILES for N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2cc(-c3ccccc3)c(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)cc21.
What is the InChIKey of N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine?
The InChIKey is JKRINSQGVBGRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H51N/c1-51(2)48-33-42(38-19-11-5-12-20-38)27-32-45(48)47-34-46(41-21-13-6-14-22-41)50(35-49(47)51)52(43-28-23-39(24-29-43)36-15-7-3-8-16-36)44-30-25-40(26-31-44)37-17-9-4-10-18-37/h5-6,11-14,19-37H,3-4,7-10,15-18H2,1-2H3.
What are the key properties of N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine?
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-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-3,7-diphenylfluoren-2-amine is sourced from PubChem (CID 168738709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).