N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline

C73H57NO — CID 170421354

IUPACN-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c21
InChIInChI=1S/C73H57NO/c1-71(2,3)50-34-42-60-61-43-35-51(72(4,5)6)45-67(61)73(66(60)44-50)65-26-11-9-19-59(65)63-24-14-22-57(69(63)73)48-30-38-53(39-31-48)74(52-36-28-47(29-37-52)56-21-13-17-46-16-7-8-18-55(46)56)54-40-32-49(33-41-54)58-23-15-25-64-62-20-10-12-27-68(62)75-70(58)64/h7-45H,1-6H3
InChIKeyBIDBKNFXFGLREX-UHFFFAOYSA-N
MW964.26 g/mol
LogP20.15
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline

N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 170421354) has the molecular formula C73H57NO and a molecular weight of 964.26 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID170421354
Molecular FormulaC73H57NO
Molecular Weight964.26 g/mol
Exact Mass963.44
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c21
InChIInChI=1S/C73H57NO/c1-71(2,3)50-34-42-60-61-43-35-51(72(4,5)6)45-67(61)73(66(60)44-50)65-26-11-9-19-59(65)63-24-14-22-57(69(63)73)48-30-38-53(39-31-48)74(52-36-28-47(29-37-52)56-21-13-17-46-16-7-8-18-55(46)56)54-40-32-49(33-41-54)58-23-15-25-64-62-20-10-12-27-68(62)75-70(58)64/h7-45H,1-6H3
InChIKeyBIDBKNFXFGLREX-UHFFFAOYSA-N
XLogP20.15
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.26
LogP ≤ 520.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline
CID 156896758
2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 170535488
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 137392478
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 170421362
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298418
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine
CID 130380116
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114159
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
(Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 145242811
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168840185
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 122593353

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline (CID 170421354) is N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is BIDBKNFXFGLREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H57NO/c1-71(2,3)50-34-42-60-61-43-35-51(72(4,5)6)45-67(61)73(66(60)44-50)65-26-11-9-19-59(65)63-24-14-22-57(69(63)73)48-30-38-53(39-31-48)74(52-36-28-47(29-37-52)56-21-13-17-46-16-7-8-18-55(46)56)54-40-32-49(33-41-54)58-23-15-25-64-62-20-10-12-27-68(62)75-70(58)64/h7-45H,1-6H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 964.26 g/mol, XLogP of 20.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 170421354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).