N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine

C85H66N2 — CID 176611605

IUPACN-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c(-c3ccccc3)cc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)cc2)cc1
InChIInChI=1S/C85H66N2/c1-8-24-61(25-9-1)62-40-42-63(43-41-62)64-44-50-73(51-45-64)86(71-34-18-6-19-35-71)74-52-46-67(47-53-74)81-59-80(66-28-12-3-13-29-66)82(60-79(81)65-26-10-2-11-27-65)68-48-54-75(55-49-68)87(72-36-20-7-21-37-72)76-56-57-78-77-38-22-23-39-83(77)85(84(78)58-76,69-30-14-4-15-31-69)70-32-16-5-17-33-70/h2-7,10-23,26-61H,1,8-9,24-25H2
InChIKeyJRVSPSDWUDHBSD-UHFFFAOYSA-N
MW1115.48 g/mol
LogP23.37
Rot. Bonds14

About N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine

N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 176611605) has the molecular formula C85H66N2 and a molecular weight of 1115.48 g/mol. Its IUPAC name is N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
PubChem CID176611605
Molecular FormulaC85H66N2
Molecular Weight1115.48 g/mol
Exact Mass1114.52
IUPAC NameN-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c(-c3ccccc3)cc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)cc2)cc1
InChIInChI=1S/C85H66N2/c1-8-24-61(25-9-1)62-40-42-63(43-41-62)64-44-50-73(51-45-64)86(71-34-18-6-19-35-71)74-52-46-67(47-53-74)81-59-80(66-28-12-3-13-29-66)82(60-79(81)65-26-10-2-11-27-65)68-48-54-75(55-49-68)87(72-36-20-7-21-37-72)76-56-57-78-77-38-22-23-39-83(77)85(84(78)58-76,69-30-14-4-15-31-69)70-32-16-5-17-33-70/h2-7,10-23,26-61H,1,8-9,24-25H2
InChIKeyJRVSPSDWUDHBSD-UHFFFAOYSA-N
XLogP23.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001115.48
LogP ≤ 523.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine
CID 166021013
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
2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174278817
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
7-cyclohexyl-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 165040410
N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 156557066
9,9-bis(4-tert-butylphenyl)-N,N-bis(4-cyclohexylphenyl)fluoren-2-amine
CID 166020872
N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine
CID 166021012
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
The IUPAC name of N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine (CID 176611605) is N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
The canonical SMILES for N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine is c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c(-c3ccccc3)cc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
The InChIKey is JRVSPSDWUDHBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H66N2/c1-8-24-61(25-9-1)62-40-42-63(43-41-62)64-44-50-73(51-45-64)86(71-34-18-6-19-35-71)74-52-46-67(47-53-74)81-59-80(66-28-12-3-13-29-66)82(60-79(81)65-26-10-2-11-27-65)68-48-54-75(55-49-68)87(72-36-20-7-21-37-72)76-56-57-78-77-38-22-23-39-83(77)85(84(78)58-76,69-30-14-4-15-31-69)70-32-16-5-17-33-70/h2-7,10-23,26-61H,1,8-9,24-25H2.
What are the key properties of N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine has a molecular weight of 1115.48 g/mol, XLogP of 23.37, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 176611605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).