N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine

C60H51N — CID 168801947

IUPACN-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3cc5ccccc5cc3C4(C)C)c3ccc4ccccc4c3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C60H51N/c1-58(2,3)44-26-20-38(21-27-44)39-22-28-45(29-23-39)61(46-30-32-53-51(37-46)50-34-41-15-8-9-16-42(41)35-55(50)60(53,6)7)56-33-25-40-14-10-11-17-47(40)57(56)43-24-31-49-48-18-12-13-19-52(48)59(4,5)54(49)36-43/h8-37H,1-7H3
InChIKeyFXPNAPQCQXIEQI-UHFFFAOYSA-N
MW786.08 g/mol
LogP16.71
Rot. Bonds5

About N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine

N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine (PubChem CID 168801947) has the molecular formula C60H51N and a molecular weight of 786.08 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
PubChem CID168801947
Molecular FormulaC60H51N
Molecular Weight786.08 g/mol
Exact Mass785.40
IUPAC NameN-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3cc5ccccc5cc3C4(C)C)c3ccc4ccccc4c3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C60H51N/c1-58(2,3)44-26-20-38(21-27-44)39-22-28-45(29-23-39)61(46-30-32-53-51(37-46)50-34-41-15-8-9-16-42(41)35-55(50)60(53,6)7)56-33-25-40-14-10-11-17-47(40)57(56)43-24-31-49-48-18-12-13-19-52(48)59(4,5)54(49)36-43/h8-37H,1-7H3
InChIKeyFXPNAPQCQXIEQI-UHFFFAOYSA-N
XLogP16.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.08
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168802268
N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 168802156
N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 168802152
N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine
CID 168802159
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802263
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802375
N-[4-(4-tert-butylphenyl)-3-phenylphenyl]-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9-methyl-9-phenylfluoren-3-amine
CID 168802239
8-tert-butyl-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-spiro[benzo[b]fluorene-11,9'-fluorene]-3-yldibenzothiophen-3-amine
CID 168801844
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802106
N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802051
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802481
N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802173

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine?
The IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine (CID 168801947) is N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3cc5ccccc5cc3C4(C)C)c3ccc4ccccc4c3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine?
The InChIKey is FXPNAPQCQXIEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51N/c1-58(2,3)44-26-20-38(21-27-44)39-22-28-45(29-23-39)61(46-30-32-53-51(37-46)50-34-41-15-8-9-16-42(41)35-55(50)60(53,6)7)56-33-25-40-14-10-11-17-47(40)57(56)43-24-31-49-48-18-12-13-19-52(48)59(4,5)54(49)36-43/h8-37H,1-7H3.
What are the key properties of N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine?
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine has a molecular weight of 786.08 g/mol, XLogP of 16.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine is sourced from PubChem (CID 168801947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).