N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine

C52H47N — CID 164774121

IUPACN-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4cc3N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C52H47N/c1-51(2)46-20-12-10-18-41(46)43-28-24-38(31-48(43)51)45-30-36-16-8-9-17-37(36)32-50(45)53(39-25-22-35(23-26-39)34-14-6-5-7-15-34)40-27-29-44-42-19-11-13-21-47(42)52(3,4)49(44)33-40/h8-13,16-34H,5-7,14-15H2,1-4H3
InChIKeySACKLJSXDGCVDJ-UHFFFAOYSA-N
MW685.96 g/mol
LogP14.64
Rot. Bonds5

About N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine

N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine (PubChem CID 164774121) has the molecular formula C52H47N and a molecular weight of 685.96 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
PubChem CID164774121
Molecular FormulaC52H47N
Molecular Weight685.96 g/mol
Exact Mass685.37
IUPAC NameN-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4cc3N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C52H47N/c1-51(2)46-20-12-10-18-41(46)43-28-24-38(31-48(43)51)45-30-36-16-8-9-17-37(36)32-50(45)53(39-25-22-35(23-26-39)34-14-6-5-7-15-34)40-27-29-44-42-19-11-13-21-47(42)52(3,4)49(44)33-40/h8-13,16-34H,5-7,14-15H2,1-4H3
InChIKeySACKLJSXDGCVDJ-UHFFFAOYSA-N
XLogP14.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.96
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
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-cyclohexylphenyl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)naphthalen-2-yl]fluoren-2-amine
CID 164774646
N-(6-cyclohexylnaphthalen-2-yl)-N-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluoren-2-amine;N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-2-(9,9-dimethylfluoren-2-yl)naphthalen-1-amine;N-(4-cyclohexylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluoren-2-amine
CID 164951510
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 164774948
N-(4-cyclohexylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500304
3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
CID 177286665
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-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine
CID 171740912

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine (CID 164774121) is N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4cc3N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine?
The InChIKey is SACKLJSXDGCVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47N/c1-51(2)46-20-12-10-18-41(46)43-28-24-38(31-48(43)51)45-30-36-16-8-9-17-37(36)32-50(45)53(39-25-22-35(23-26-39)34-14-6-5-7-15-34)40-27-29-44-42-19-11-13-21-47(42)52(3,4)49(44)33-40/h8-13,16-34H,5-7,14-15H2,1-4H3.
What are the key properties of N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine?
N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine has a molecular weight of 685.96 g/mol, XLogP of 14.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 164774121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).