N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine

C81H66N2 — CID 176611487

IUPACN-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)cc4-c4ccccc4)cc3)cc21
InChIInChI=1S/C81H66N2/c1-81(2)79-31-19-18-30-73(79)74-53-52-72(54-80(74)81)83(70-46-38-62(39-47-70)60-34-32-59(33-35-60)57-20-8-3-9-21-57)71-50-42-66(43-51-71)78-56-75(63-24-12-5-13-25-63)77(55-76(78)64-26-14-6-15-27-64)65-40-48-69(49-41-65)82(67-28-16-7-17-29-67)68-44-36-61(37-45-68)58-22-10-4-11-23-58/h4-7,10-19,22-57H,3,8-9,20-21H2,1-2H3
InChIKeyVQRGPLNLZIBAQR-UHFFFAOYSA-N
MW1067.43 g/mol
LogP22.98
Rot. Bonds13

About N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine

N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 176611487) has the molecular formula C81H66N2 and a molecular weight of 1067.43 g/mol. Its IUPAC name is N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID176611487
Molecular FormulaC81H66N2
Molecular Weight1067.43 g/mol
Exact Mass1066.52
IUPAC NameN-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)cc4-c4ccccc4)cc3)cc21
InChIInChI=1S/C81H66N2/c1-81(2)79-31-19-18-30-73(79)74-53-52-72(54-80(74)81)83(70-46-38-62(39-47-70)60-34-32-59(33-35-60)57-20-8-3-9-21-57)71-50-42-66(43-51-71)78-56-75(63-24-12-5-13-25-63)77(55-76(78)64-26-14-6-15-27-64)65-40-48-69(49-41-65)82(67-28-16-7-17-29-67)68-44-36-61(37-45-68)58-22-10-4-11-23-58/h4-7,10-19,22-57H,3,8-9,20-21H2,1-2H3
InChIKeyVQRGPLNLZIBAQR-UHFFFAOYSA-N
XLogP22.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001067.43
LogP ≤ 522.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168771754
N-[4-(4-cyclohexylphenyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171439072
N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466781
N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 176611605
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
CID 155467210
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of 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) is N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)cc4-c4ccccc4)cc3)cc21.
What is the InChIKey of N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is VQRGPLNLZIBAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H66N2/c1-81(2)79-31-19-18-30-73(79)74-53-52-72(54-80(74)81)83(70-46-38-62(39-47-70)60-34-32-59(33-35-60)57-20-8-3-9-21-57)71-50-42-66(43-51-71)78-56-75(63-24-12-5-13-25-63)77(55-76(78)64-26-14-6-15-27-64)65-40-48-69(49-41-65)82(67-28-16-7-17-29-67)68-44-36-61(37-45-68)58-22-10-4-11-23-58/h4-7,10-19,22-57H,3,8-9,20-21H2,1-2H3.
What are the key properties of N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 1067.43 g/mol, XLogP of 22.98, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 176611487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).