N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine

C49H41NS — CID 164774948

IUPACN-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(C4CCCCC4)cc3)c3cc4ccccc4cc3-c3ccc4c(c3)sc3ccccc34)ccc21
InChIInChI=1S/C49H41NS/c1-49(2)44-18-10-8-16-39(44)43-31-38(25-27-45(43)49)50(37-23-20-33(21-24-37)32-12-4-3-5-13-32)46-29-35-15-7-6-14-34(35)28-42(46)36-22-26-41-40-17-9-11-19-47(40)51-48(41)30-36/h6-11,14-32H,3-5,12-13H2,1-2H3
InChIKeyKKXMCAJFFDMEMG-UHFFFAOYSA-N
MW675.94 g/mol
LogP14.70
Rot. Bonds5

About N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine

N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine (PubChem CID 164774948) has the molecular formula C49H41NS and a molecular weight of 675.94 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
PubChem CID164774948
Molecular FormulaC49H41NS
Molecular Weight675.94 g/mol
Exact Mass675.30
IUPAC NameN-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(C4CCCCC4)cc3)c3cc4ccccc4cc3-c3ccc4c(c3)sc3ccccc34)ccc21
InChIInChI=1S/C49H41NS/c1-49(2)44-18-10-8-16-39(44)43-31-38(25-27-45(43)49)50(37-23-20-33(21-24-37)32-12-4-3-5-13-32)46-29-35-15-7-6-14-34(35)28-42(46)36-22-26-41-40-17-9-11-19-47(40)51-48(41)30-36/h6-11,14-32H,3-5,12-13H2,1-2H3
InChIKeyKKXMCAJFFDMEMG-UHFFFAOYSA-N
XLogP14.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.94
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(1-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-amine;N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 165099350
N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 164774604
N-[1-(6-cyclopentylnaphthalen-2-yl)naphthalen-2-yl]-N-(3,5-dicyclopentylphenyl)-9,9-dimethylfluoren-3-amine;N-[1-(8-cyclopentylnaphthalen-2-yl)naphthalen-2-yl]-N-(2,4-dicyclopentylphenyl)-9,9-dimethylfluoren-3-amine;N-[4-(4-cyclopentylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 165061286
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)naphthalen-2-yl]fluoren-2-amine
CID 164774646
N-(6-cyclohexylnaphthalen-2-yl)-N-(1-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine;N-(4-cyclohexylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethyl-8-phenylfluoren-2-amine;N-(4-cyclohexylphenyl)-N-(1-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 165068736
N-(2-dibenzothiophen-3-yl-3-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 170666062
N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774786
N-(4-cyclohexyl-2-phenylphenyl)-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine;N-[4-(4-cyclohexylphenyl)phenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine;N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 165016465
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-3-N-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 176611782
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-2-yl-4-N-(3-phenylnaphthalen-2-yl)benzene-1,4-diamine
CID 176611704
N-(4-cyclopentylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774673

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine (CID 164774948) is N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(C4CCCCC4)cc3)c3cc4ccccc4cc3-c3ccc4c(c3)sc3ccccc34)ccc21.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The InChIKey is KKXMCAJFFDMEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41NS/c1-49(2)44-18-10-8-16-39(44)43-31-38(25-27-45(43)49)50(37-23-20-33(21-24-37)32-12-4-3-5-13-32)46-29-35-15-7-6-14-34(35)28-42(46)36-22-26-41-40-17-9-11-19-47(40)51-48(41)30-36/h6-11,14-32H,3-5,12-13H2,1-2H3.
What are the key properties of N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine has a molecular weight of 675.94 g/mol, XLogP of 14.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 164774948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).