N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine

C54H52N2 — CID 168810615

IUPACN-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine
SMILESCC(C)(c1ccc(N(c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1)c1ccc(N(c2ccccc2)c2cccc3c2C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C54H52N2/c1-53(2,41-29-35-46(36-30-41)55(43-19-10-6-11-20-43)45-33-27-40(28-34-45)39-17-8-5-9-18-39)42-31-37-47(38-32-42)56(44-21-12-7-13-22-44)51-26-16-24-49-48-23-14-15-25-50(48)54(3,4)52(49)51/h6-7,10-16,19-39H,5,8-9,17-18H2,1-4H3
InChIKeyBIQCLFNMVUMAGG-UHFFFAOYSA-N
MW729.02 g/mol
LogP15.31
Rot. Bonds9

About N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine

N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine (PubChem CID 168810615) has the molecular formula C54H52N2 and a molecular weight of 729.02 g/mol. Its IUPAC name is N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine.

Molecular Properties

Compound NameN-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine
PubChem CID168810615
Molecular FormulaC54H52N2
Molecular Weight729.02 g/mol
Exact Mass728.41
IUPAC NameN-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine
SMILESCC(C)(c1ccc(N(c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1)c1ccc(N(c2ccccc2)c2cccc3c2C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C54H52N2/c1-53(2,41-29-35-46(36-30-41)55(43-19-10-6-11-20-43)45-33-27-40(28-34-45)39-17-8-5-9-18-39)42-31-37-47(38-32-42)56(44-21-12-7-13-22-44)51-26-16-24-49-48-23-14-15-25-50(48)54(3,4)52(49)51/h6-7,10-16,19-39H,5,8-9,17-18H2,1-4H3
InChIKeyBIQCLFNMVUMAGG-UHFFFAOYSA-N
XLogP15.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.02
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
CID 168810581
N-[4-(4-cyclohexylphenyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171439072
N-[4-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 161128856
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
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-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 160500635
N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 143493158
N-[3-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 157220198
N-[4-(2-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-(4-phenylphenyl)fluoren-2-amine
CID 168739157
N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466796
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine?
The IUPAC name of N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine (CID 168810615) is N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine.
What is the SMILES notation for N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine?
The canonical SMILES for N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine is CC(C)(c1ccc(N(c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1)c1ccc(N(c2ccccc2)c2cccc3c2C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine?
The InChIKey is BIQCLFNMVUMAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52N2/c1-53(2,41-29-35-46(36-30-41)55(43-19-10-6-11-20-43)45-33-27-40(28-34-45)39-17-8-5-9-18-39)42-31-37-47(38-32-42)56(44-21-12-7-13-22-44)51-26-16-24-49-48-23-14-15-25-50(48)54(3,4)52(49)51/h6-7,10-16,19-39H,5,8-9,17-18H2,1-4H3.
What are the key properties of N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine?
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine has a molecular weight of 729.02 g/mol, XLogP of 15.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine is sourced from PubChem (CID 168810615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).