N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine

C47H41N — CID 164774507

IUPACN-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(C4CCCCC4)c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc21
InChIInChI=1S/C47H41N/c1-47(2)43-25-11-10-23-40(43)41-28-27-37(31-44(41)47)48(36-20-12-19-35(30-36)32-14-4-3-5-15-32)45-29-26-34-17-7-9-22-39(34)46(45)42-24-13-18-33-16-6-8-21-38(33)42/h6-13,16-32H,3-5,14-15H2,1-2H3
InChIKeyVXYRGBUQSKYXHZ-UHFFFAOYSA-N
MW619.85 g/mol
LogP13.48
Rot. Bonds5

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

N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine (PubChem CID 164774507) has the molecular formula C47H41N and a molecular weight of 619.85 g/mol. Its IUPAC name is N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
PubChem CID164774507
Molecular FormulaC47H41N
Molecular Weight619.85 g/mol
Exact Mass619.32
IUPAC NameN-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(C4CCCCC4)c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc21
InChIInChI=1S/C47H41N/c1-47(2)43-25-11-10-23-40(43)41-28-27-37(31-44(41)47)48(36-20-12-19-35(30-36)32-14-4-3-5-15-32)45-29-26-34-17-7-9-22-39(34)46(45)42-24-13-18-33-16-6-8-21-38(33)42/h6-13,16-32H,3-5,14-15H2,1-2H3
InChIKeyVXYRGBUQSKYXHZ-UHFFFAOYSA-N
XLogP13.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.85
LogP ≤ 513.48
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
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060417
N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 164774060
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 164774882
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060419
9,9-dimethyl-N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774638
8-cyclopentyl-N-(8-cyclopentyl-9,9-dimethylfluoren-2-yl)-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774005
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
7-cyclohexyl-N-(2-cyclohexylnaphthalen-1-yl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;7-cyclohexyl-N-(2-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(2-cyclohexylnaphthalen-1-yl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;N-(4-cyclohexylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 165094520
N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylnaphthalen-1-yl)fluoren-2-amine;N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-2-naphthalen-1-ylnaphthalen-1-amine;N-(4-cyclohexylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylnaphthalen-1-yl)fluoren-2-amine
CID 164980542
N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467353
N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174307439

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine?
The IUPAC name of N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine (CID 164774507) is N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine.
What is the SMILES notation for N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine?
The canonical SMILES for N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(C4CCCCC4)c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc21.
What is the InChIKey of N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine?
The InChIKey is VXYRGBUQSKYXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41N/c1-47(2)43-25-11-10-23-40(43)41-28-27-37(31-44(41)47)48(36-20-12-19-35(30-36)32-14-4-3-5-15-32)45-29-26-34-17-7-9-22-39(34)46(45)42-24-13-18-33-16-6-8-21-38(33)42/h6-13,16-32H,3-5,14-15H2,1-2H3.
What are the key properties of N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine?
N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine has a molecular weight of 619.85 g/mol, XLogP of 13.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 164774507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).