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

C73H81N — CID 157220198

IUPACN-[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
SMILESCC(C)(C)c1cc(-c2cccc(N(c3cccc(-c4ccc(C5CCCCC5)cc4)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C73H81N/c1-69(2,3)58-38-53(36-54(39-58)55-37-56(41-59(40-55)70(4,5)6)57-42-60(71(7,8)9)46-61(43-57)72(10,11)12)52-25-21-27-63(45-52)74(64-34-35-66-65-28-18-19-29-67(65)73(13,14)68(66)47-64)62-26-20-24-51(44-62)50-32-30-49(31-33-50)48-22-16-15-17-23-48/h18-21,24-48H,15-17,22-23H2,1-14H3
InChIKeyPZTCWLFAHITOSM-UHFFFAOYSA-N
MW972.46 g/mol
LogP21.37
Rot. Bonds8

About 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

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 (PubChem CID 157220198) has the molecular formula C73H81N and a molecular weight of 972.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157220198
Molecular FormulaC73H81N
Molecular Weight972.46 g/mol
Exact Mass971.64
IUPAC NameN-[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
SMILESCC(C)(C)c1cc(-c2cccc(N(c3cccc(-c4ccc(C5CCCCC5)cc4)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C73H81N/c1-69(2,3)58-38-53(36-54(39-58)55-37-56(41-59(40-55)70(4,5)6)57-42-60(71(7,8)9)46-61(43-57)72(10,11)12)52-25-21-27-63(45-52)74(64-34-35-66-65-28-18-19-29-67(65)73(13,14)68(66)47-64)62-26-20-24-51(44-62)50-32-30-49(31-33-50)48-22-16-15-17-23-48/h18-21,24-48H,15-17,22-23H2,1-14H3
InChIKeyPZTCWLFAHITOSM-UHFFFAOYSA-N
XLogP21.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.46
LogP ≤ 521.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466796
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-tert-butyl-5-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(3-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 157479942
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,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
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159398373
N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 158277620
N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467178
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine
CID 155467234
N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(-c2cccc(N(c3cccc(-c4ccc(C5CCCCC5)cc4)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c1.
What is the InChIKey of 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?
The InChIKey is PZTCWLFAHITOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H81N/c1-69(2,3)58-38-53(36-54(39-58)55-37-56(41-59(40-55)70(4,5)6)57-42-60(71(7,8)9)46-61(43-57)72(10,11)12)52-25-21-27-63(45-52)74(64-34-35-66-65-28-18-19-29-67(65)73(13,14)68(66)47-64)62-26-20-24-51(44-62)50-32-30-49(31-33-50)48-22-16-15-17-23-48/h18-21,24-48H,15-17,22-23H2,1-14H3.
What are the key properties of 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?
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 has a molecular weight of 972.46 g/mol, XLogP of 21.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157220198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).