9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine

C60H65N — CID 166020894

IUPAC9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine
SMILESCC(C)(C)c1ccc(C2(C)c3ccccc3-c3ccc(N(c4ccc(-c5cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c5)cc4)c4ccccc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C60H65N/c1-56(2,3)43-29-31-44(32-30-43)60(13)50-25-19-17-24-48(50)49-36-35-46(39-51(49)60)61(54-26-20-18-23-47(54)41-21-15-14-16-22-41)45-33-27-40(28-34-45)42-37-52(57(4,5)6)55(59(10,11)12)53(38-42)58(7,8)9/h14-39H,1-13H3
InChIKeyAEPGIDLXNZYQAY-UHFFFAOYSA-N
MW800.19 g/mol
LogP17.02
Rot. Bonds6

About 9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine

9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine (PubChem CID 166020894) has the molecular formula C60H65N and a molecular weight of 800.19 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine
PubChem CID166020894
Molecular FormulaC60H65N
Molecular Weight800.19 g/mol
Exact Mass799.51
IUPAC Name9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine
SMILESCC(C)(C)c1ccc(C2(C)c3ccccc3-c3ccc(N(c4ccc(-c5cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c5)cc4)c4ccccc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C60H65N/c1-56(2,3)43-29-31-44(32-30-43)60(13)50-25-19-17-24-48(50)49-36-35-46(39-51(49)60)61(54-26-20-18-23-47(54)41-21-15-14-16-22-41)45-33-27-40(28-34-45)42-37-52(57(4,5)6)55(59(10,11)12)53(38-42)58(7,8)9/h14-39H,1-13H3
InChIKeyAEPGIDLXNZYQAY-UHFFFAOYSA-N
XLogP17.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.19
LogP ≤ 517.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 90029841
N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170216343
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170141356
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170215500
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 170215498
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline
CID 169293087
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
N-[2-(4-tert-butylphenyl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217441
9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine
CID 155153830

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine (CID 166020894) is 9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine is CC(C)(C)c1ccc(C2(C)c3ccccc3-c3ccc(N(c4ccc(-c5cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c5)cc4)c4ccccc4-c4ccccc4)cc32)cc1.
What is the InChIKey of 9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine?
The InChIKey is AEPGIDLXNZYQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H65N/c1-56(2,3)43-29-31-44(32-30-43)60(13)50-25-19-17-24-48(50)49-36-35-46(39-51(49)60)61(54-26-20-18-23-47(54)41-21-15-14-16-22-41)45-33-27-40(28-34-45)42-37-52(57(4,5)6)55(59(10,11)12)53(38-42)58(7,8)9/h14-39H,1-13H3.
What are the key properties of 9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine?
9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine has a molecular weight of 800.19 g/mol, XLogP of 17.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 166020894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).