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

C73H81N — CID 157479942

IUPACN-[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
SMILESCC(C)(C)c1cc(-c2ccc(-c3cc(N(c4cccc(-c5cccc(C6CCCCC6)c5)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(C(C)(C)C)c3)cc2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C73H81N/c1-69(2,3)58-38-54(37-55(39-58)56-40-59(70(4,5)6)45-60(41-56)71(7,8)9)49-30-32-50(33-31-49)57-42-61(72(10,11)12)46-64(44-57)74(63-34-35-66-65-28-18-19-29-67(65)73(13,14)68(66)47-63)62-27-21-26-53(43-62)52-25-20-24-51(36-52)48-22-16-15-17-23-48/h18-21,24-48H,15-17,22-23H2,1-14H3
InChIKeyVQKAWQBXWHEZCN-UHFFFAOYSA-N
MW972.46 g/mol
LogP21.37
Rot. Bonds8

About 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

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 (PubChem CID 157479942) has the molecular formula C73H81N and a molecular weight of 972.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157479942
Molecular FormulaC73H81N
Molecular Weight972.46 g/mol
Exact Mass971.64
IUPAC NameN-[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
SMILESCC(C)(C)c1cc(-c2ccc(-c3cc(N(c4cccc(-c5cccc(C6CCCCC6)c5)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(C(C)(C)C)c3)cc2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C73H81N/c1-69(2,3)58-38-54(37-55(39-58)56-40-59(70(4,5)6)45-60(41-56)71(7,8)9)49-30-32-50(33-31-49)57-42-61(72(10,11)12)46-64(44-57)74(63-34-35-66-65-28-18-19-29-67(65)73(13,14)68(66)47-63)62-27-21-26-53(43-62)52-25-20-24-51(36-52)48-22-16-15-17-23-48/h18-21,24-48H,15-17,22-23H2,1-14H3
InChIKeyVQKAWQBXWHEZCN-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

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Related Compounds

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-[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-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 160561456
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-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine
CID 155467421
N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467353
N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(3-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 160536709
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-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467178
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-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(3-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 160693671

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(-c2ccc(-c3cc(N(c4cccc(-c5cccc(C6CCCCC6)c5)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(C(C)(C)C)c3)cc2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.
What is the InChIKey of 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?
The InChIKey is VQKAWQBXWHEZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H81N/c1-69(2,3)58-38-54(37-55(39-58)56-40-59(70(4,5)6)45-60(41-56)71(7,8)9)49-30-32-50(33-31-49)57-42-61(72(10,11)12)46-64(44-57)74(63-34-35-66-65-28-18-19-29-67(65)73(13,14)68(66)47-63)62-27-21-26-53(43-62)52-25-20-24-51(36-52)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-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?
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 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-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 is sourced from PubChem (CID 157479942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).