N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline

C63H53NO — CID 174294336

IUPACN-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3)c3ccccc3-c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C63H53NO/c1-61(2,3)45-36-38-58-54(40-45)63(55-41-46(62(4,5)6)37-39-59(55)65-58)52-28-16-13-26-51(52)60-50(27-19-29-53(60)63)49-25-15-18-31-57(49)64(47-22-11-8-12-23-47)56-30-17-14-24-48(56)44-34-32-43(33-35-44)42-20-9-7-10-21-42/h7-41H,1-6H3
InChIKeyBORYZUHUZMLVOP-UHFFFAOYSA-N
MW840.12 g/mol
LogP17.22
Rot. Bonds6

About N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline

N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline (PubChem CID 174294336) has the molecular formula C63H53NO and a molecular weight of 840.12 g/mol. Its IUPAC name is N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
PubChem CID174294336
Molecular FormulaC63H53NO
Molecular Weight840.12 g/mol
Exact Mass839.41
IUPAC NameN-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3)c3ccccc3-c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C63H53NO/c1-61(2,3)45-36-38-58-54(40-45)63(55-41-46(62(4,5)6)37-39-59(55)65-58)52-28-16-13-26-51(52)60-50(27-19-29-53(60)63)49-25-15-18-31-57(49)64(47-22-11-8-12-23-47)56-30-17-14-24-48(56)44-34-32-43(33-35-44)42-20-9-7-10-21-42/h7-41H,1-6H3
InChIKeyBORYZUHUZMLVOP-UHFFFAOYSA-N
XLogP17.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.12
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 174278515
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 174159235
N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 159764707
N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477575
N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477025
2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281956
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 138477297
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 160562558
2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170141214
2,7-ditert-butyl-N-(9,9-diphenylxanthen-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282393
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 174293899

Frequently Asked Questions

What is the IUPAC name of N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline?
The IUPAC name of N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline (CID 174294336) is N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline?
The canonical SMILES for N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3)c3ccccc3-c3ccc(-c4ccccc4)cc3)cccc21.
What is the InChIKey of N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline?
The InChIKey is BORYZUHUZMLVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H53NO/c1-61(2,3)45-36-38-58-54(40-45)63(55-41-46(62(4,5)6)37-39-59(55)65-58)52-28-16-13-26-51(52)60-50(27-19-29-53(60)63)49-25-15-18-31-57(49)64(47-22-11-8-12-23-47)56-30-17-14-24-48(56)44-34-32-43(33-35-44)42-20-9-7-10-21-42/h7-41H,1-6H3.
What are the key properties of N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline?
N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline has a molecular weight of 840.12 g/mol, XLogP of 17.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 174294336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).