N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine

C53H45N — CID 164774060

IUPACN-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(C4CCCCC4)cc3-c3ccccc3)c3ccc4ccccc4c3-c3cccc4ccccc34)ccc21
InChIInChI=1S/C53H45N/c1-53(2)48-27-14-13-25-44(48)47-35-41(30-31-49(47)53)54(50-32-29-40(36-16-5-3-6-17-36)34-46(50)38-18-7-4-8-19-38)51-33-28-39-21-10-12-24-43(39)52(51)45-26-15-22-37-20-9-11-23-42(37)45/h4,7-15,18-36H,3,5-6,16-17H2,1-2H3
InChIKeyWUVLHODIYHEBIR-UHFFFAOYSA-N
MW695.95 g/mol
LogP15.15
Rot. Bonds6

About N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine

N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine (PubChem CID 164774060) has the molecular formula C53H45N and a molecular weight of 695.95 g/mol. Its IUPAC name is N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine.

Molecular Properties

Compound NameN-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
PubChem CID164774060
Molecular FormulaC53H45N
Molecular Weight695.95 g/mol
Exact Mass695.36
IUPAC NameN-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(C4CCCCC4)cc3-c3ccccc3)c3ccc4ccccc4c3-c3cccc4ccccc34)ccc21
InChIInChI=1S/C53H45N/c1-53(2)48-27-14-13-25-44(48)47-35-41(30-31-49(47)53)54(50-32-29-40(36-16-5-3-6-17-36)34-46(50)38-18-7-4-8-19-38)51-33-28-39-21-10-12-24-43(39)52(51)45-26-15-22-37-20-9-11-23-42(37)45/h4,7-15,18-36H,3,5-6,16-17H2,1-2H3
InChIKeyWUVLHODIYHEBIR-UHFFFAOYSA-N
XLogP15.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.95
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774478
N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774507
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
N-[4-(6-cyclohexyldibenzofuran-4-yl)phenyl]-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine;N-(4-cyclohexylphenyl)-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine;N-[4-(4-cyclohexylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 165054595
9,9-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 164774413
N-[4-(6-cyclohexyldibenzofuran-4-yl)phenyl]-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine;1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine;N-[4-(6-cyclohexyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 165030567
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060417
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060419
7-cyclohexyl-N-(2-cyclohexylnaphthalen-1-yl)-N-[2-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;7-cyclohexyl-N-(2-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(2-cyclohexylnaphthalen-1-yl)-N-[2-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-[2-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 164978075
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
N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802051
N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine
CID 164774791

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine?
The IUPAC name of N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine (CID 164774060) is N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine.
What is the SMILES notation for N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine?
The canonical SMILES for N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(C4CCCCC4)cc3-c3ccccc3)c3ccc4ccccc4c3-c3cccc4ccccc34)ccc21.
What is the InChIKey of N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine?
The InChIKey is WUVLHODIYHEBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H45N/c1-53(2)48-27-14-13-25-44(48)47-35-41(30-31-49(47)53)54(50-32-29-40(36-16-5-3-6-17-36)34-46(50)38-18-7-4-8-19-38)51-33-28-39-21-10-12-24-43(39)52(51)45-26-15-22-37-20-9-11-23-42(37)45/h4,7-15,18-36H,3,5-6,16-17H2,1-2H3.
What are the key properties of N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine?
N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine has a molecular weight of 695.95 g/mol, XLogP of 15.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine is sourced from PubChem (CID 164774060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).