N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine

C58H51N — CID 171438871

IUPACN-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)-c3ccc(N(c5ccc(C6CCCCC6)cc5)c5cc(-c6ccccc6)c6ccccc6c5)cc3C4(C)C)ccc21
InChIInChI=1S/C58H51N/c1-57(2)53-22-14-13-21-48(53)51-34-41(25-31-54(51)57)42-26-32-55-52(35-42)49-30-29-45(37-56(49)58(55,3)4)59(44-27-23-39(24-28-44)38-15-7-5-8-16-38)46-33-43-19-11-12-20-47(43)50(36-46)40-17-9-6-10-18-40/h6,9-14,17-38H,5,7-8,15-16H2,1-4H3
InChIKeyUEVNXIMNDPLMCW-UHFFFAOYSA-N
MW762.05 g/mol
LogP16.30
Rot. Bonds6

About N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine

N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine (PubChem CID 171438871) has the molecular formula C58H51N and a molecular weight of 762.05 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
PubChem CID171438871
Molecular FormulaC58H51N
Molecular Weight762.05 g/mol
Exact Mass761.40
IUPAC NameN-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)-c3ccc(N(c5ccc(C6CCCCC6)cc5)c5cc(-c6ccccc6)c6ccccc6c5)cc3C4(C)C)ccc21
InChIInChI=1S/C58H51N/c1-57(2)53-22-14-13-21-48(53)51-34-41(25-31-54(51)57)42-26-32-55-52(35-42)49-30-29-45(37-56(49)58(55,3)4)59(44-27-23-39(24-28-44)38-15-7-5-8-16-38)46-33-43-19-11-12-20-47(43)50(36-46)40-17-9-6-10-18-40/h6,9-14,17-38H,5,7-8,15-16H2,1-4H3
InChIKeyUEVNXIMNDPLMCW-UHFFFAOYSA-N
XLogP16.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.05
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060419
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
CID 138623042
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
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
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-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466781
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168771754
9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139355272
1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286768

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine (CID 171438871) is N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)-c3ccc(N(c5ccc(C6CCCCC6)cc5)c5cc(-c6ccccc6)c6ccccc6c5)cc3C4(C)C)ccc21.
What is the InChIKey of N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine?
The InChIKey is UEVNXIMNDPLMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H51N/c1-57(2)53-22-14-13-21-48(53)51-34-41(25-31-54(51)57)42-26-32-55-52(35-42)49-30-29-45(37-56(49)58(55,3)4)59(44-27-23-39(24-28-44)38-15-7-5-8-16-38)46-33-43-19-11-12-20-47(43)50(36-46)40-17-9-6-10-18-40/h6,9-14,17-38H,5,7-8,15-16H2,1-4H3.
What are the key properties of N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine?
N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine has a molecular weight of 762.05 g/mol, XLogP of 16.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 171438871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).