N-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine

C62H57N — CID 164972716

IUPACN-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3cccc(C5CCCCC5)c3)c3ccccc3-4)c3c(C4CCCCC4)ccc4ccccc34)cc21
InChIInChI=1S/C62H57N/c1-61(2)56-31-16-14-29-52(56)54-37-34-48(40-58(54)61)63(60-50-28-13-12-23-44(50)33-36-51(60)43-21-8-4-9-22-43)49-35-38-55-53-30-15-17-32-57(53)62(59(55)41-49,46-25-10-5-11-26-46)47-27-18-24-45(39-47)42-19-6-3-7-20-42/h5,10-18,23-43H,3-4,6-9,19-22H2,1-2H3
InChIKeyPFCWQAOENOAQDQ-UHFFFAOYSA-N
MW816.15 g/mol
LogP17.07
Rot. Bonds7

About N-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine

N-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine (PubChem CID 164972716) has the molecular formula C62H57N and a molecular weight of 816.15 g/mol. Its IUPAC name is N-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine
PubChem CID164972716
Molecular FormulaC62H57N
Molecular Weight816.15 g/mol
Exact Mass815.45
IUPAC NameN-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3cccc(C5CCCCC5)c3)c3ccccc3-4)c3c(C4CCCCC4)ccc4ccccc34)cc21
InChIInChI=1S/C62H57N/c1-61(2)56-31-16-14-29-52(56)54-37-34-48(40-58(54)61)63(60-50-28-13-12-23-44(50)33-36-51(60)43-21-8-4-9-22-43)49-35-38-55-53-30-15-17-32-57(53)62(59(55)41-49,46-25-10-5-11-26-46)47-27-18-24-45(39-47)42-19-6-3-7-20-42/h5,10-18,23-43H,3-4,6-9,19-22H2,1-2H3
InChIKeyPFCWQAOENOAQDQ-UHFFFAOYSA-N
XLogP17.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.15
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
7-cyclohexyl-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 165040410
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
6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812120
7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine
CID 165059639
N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 156557066
N-(3-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774507
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-(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
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
N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 164774478

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine (CID 164972716) is N-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3cccc(C5CCCCC5)c3)c3ccccc3-4)c3c(C4CCCCC4)ccc4ccccc34)cc21.
What is the InChIKey of N-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine?
The InChIKey is PFCWQAOENOAQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H57N/c1-61(2)56-31-16-14-29-52(56)54-37-34-48(40-58(54)61)63(60-50-28-13-12-23-44(50)33-36-51(60)43-21-8-4-9-22-43)49-35-38-55-53-30-15-17-32-57(53)62(59(55)41-49,46-25-10-5-11-26-46)47-27-18-24-45(39-47)42-19-6-3-7-20-42/h5,10-18,23-43H,3-4,6-9,19-22H2,1-2H3.
What are the key properties of N-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine?
N-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine has a molecular weight of 816.15 g/mol, XLogP of 17.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylnaphthalen-1-yl)-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 164972716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).