1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine

C60H62F2N2 — CID 142500793

IUPAC1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESCC1(C)c2cc(-c3cccc(N(c4ccccc4)c4cccc(N(c5ccccc5)c5cccc(-c6cc(F)c7c(c6)C(C)(C)C(C)(C)C7(C)C)c5)c4)c3)cc(F)c2C(C)(C)C1(C)C
InChIInChI=1S/C60H62F2N2/c1-55(2)49-34-41(36-51(61)53(49)57(5,6)59(55,9)10)39-22-19-28-45(32-39)63(43-24-15-13-16-25-43)47-30-21-31-48(38-47)64(44-26-17-14-18-27-44)46-29-20-23-40(33-46)42-35-50-54(52(62)37-42)58(7,8)60(11,12)56(50,3)4/h13-38H,1-12H3
InChIKeyAPXIZFIHELEKDE-UHFFFAOYSA-N
MW849.17 g/mol
LogP17.43
Rot. Bonds8

About 1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine

1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 142500793) has the molecular formula C60H62F2N2 and a molecular weight of 849.17 g/mol. Its IUPAC name is 1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
PubChem CID142500793
Molecular FormulaC60H62F2N2
Molecular Weight849.17 g/mol
Exact Mass848.49
IUPAC Name1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESCC1(C)c2cc(-c3cccc(N(c4ccccc4)c4cccc(N(c5ccccc5)c5cccc(-c6cc(F)c7c(c6)C(C)(C)C(C)(C)C7(C)C)c5)c4)c3)cc(F)c2C(C)(C)C1(C)C
InChIInChI=1S/C60H62F2N2/c1-55(2)49-34-41(36-51(61)53(49)57(5,6)59(55,9)10)39-22-19-28-45(32-39)63(43-24-15-13-16-25-43)47-30-21-31-48(38-47)64(44-26-17-14-18-27-44)46-29-20-23-40(33-46)42-35-50-54(52(62)37-42)58(7,8)60(11,12)56(50,3)4/h13-38H,1-12H3
InChIKeyAPXIZFIHELEKDE-UHFFFAOYSA-N
XLogP17.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.17
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-[7-[3,5-bis(N-(4-phenylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 59510953
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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine (CID 142500793) is 1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine is CC1(C)c2cc(-c3cccc(N(c4ccccc4)c4cccc(N(c5ccccc5)c5cccc(-c6cc(F)c7c(c6)C(C)(C)C(C)(C)C7(C)C)c5)c4)c3)cc(F)c2C(C)(C)C1(C)C.
What is the InChIKey of 1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?
The InChIKey is APXIZFIHELEKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H62F2N2/c1-55(2)49-34-41(36-51(61)53(49)57(5,6)59(55,9)10)39-22-19-28-45(32-39)63(43-24-15-13-16-25-43)47-30-21-31-48(38-47)64(44-26-17-14-18-27-44)46-29-20-23-40(33-46)42-35-50-54(52(62)37-42)58(7,8)60(11,12)56(50,3)4/h13-38H,1-12H3.
What are the key properties of 1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?
1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine has a molecular weight of 849.17 g/mol, XLogP of 17.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 142500793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).