N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine

C73H85N — CID 166021012

IUPACN,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C(c3ccc(C5CCCCC5)cc3)(c3ccc(C5CCCCC5)cc3)c3ccccc3-4)cc2)cc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C73H85N/c1-70(2,3)67-47-57(48-68(71(4,5)6)69(67)72(7,8)9)56-35-43-61(44-36-56)74(60-41-33-55(34-42-60)52-25-17-12-18-26-52)62-45-46-64-63-27-19-20-28-65(63)73(66(64)49-62,58-37-29-53(30-38-58)50-21-13-10-14-22-50)59-39-31-54(32-40-59)51-23-15-11-16-24-51/h19-20,27-52H,10-18,21-26H2,1-9H3
InChIKeyTWIDBHRMQRIDSD-UHFFFAOYSA-N
MW976.49 g/mol
LogP21.22
Rot. Bonds9

About N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine

N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine (PubChem CID 166021012) has the molecular formula C73H85N and a molecular weight of 976.49 g/mol. Its IUPAC name is N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine
PubChem CID166021012
Molecular FormulaC73H85N
Molecular Weight976.49 g/mol
Exact Mass975.67
IUPAC NameN,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C(c3ccc(C5CCCCC5)cc3)(c3ccc(C5CCCCC5)cc3)c3ccccc3-4)cc2)cc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C73H85N/c1-70(2,3)67-47-57(48-68(71(4,5)6)69(67)72(7,8)9)56-35-43-61(44-36-56)74(60-41-33-55(34-42-60)52-25-17-12-18-26-52)62-45-46-64-63-27-19-20-28-65(63)73(66(64)49-62,58-37-29-53(30-38-58)50-21-13-10-14-22-50)59-39-31-54(32-40-59)51-23-15-11-16-24-51/h19-20,27-52H,10-18,21-26H2,1-9H3
InChIKeyTWIDBHRMQRIDSD-UHFFFAOYSA-N
XLogP21.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.49
LogP ≤ 521.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine
CID 166021013
9,9-bis(4-tert-butylphenyl)-N,N-bis(4-cyclohexylphenyl)fluoren-2-amine
CID 166020872
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-[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-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466796
N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 160561456
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214
2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174278817
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,N-bis[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-cyclohexylphenyl)-N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-cyclohexylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 159159081

Frequently Asked Questions

What is the IUPAC name of N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine (CID 166021012) is N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine is CC(C)(C)c1cc(-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C(c3ccc(C5CCCCC5)cc3)(c3ccc(C5CCCCC5)cc3)c3ccccc3-4)cc2)cc(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine?
The InChIKey is TWIDBHRMQRIDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H85N/c1-70(2,3)67-47-57(48-68(71(4,5)6)69(67)72(7,8)9)56-35-43-61(44-36-56)74(60-41-33-55(34-42-60)52-25-17-12-18-26-52)62-45-46-64-63-27-19-20-28-65(63)73(66(64)49-62,58-37-29-53(30-38-58)50-21-13-10-14-22-50)59-39-31-54(32-40-59)51-23-15-11-16-24-51/h19-20,27-52H,10-18,21-26H2,1-9H3.
What are the key properties of N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine?
N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine has a molecular weight of 976.49 g/mol, XLogP of 21.22, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 166021012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).