4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline

C87H69N — CID 59729653

IUPAC4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline
SMILESCc1ccc(C2(c3ccc(C)cc3)C(c3ccc(N(c4ccc(C5=Cc6ccccc6C5(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4ccc(C5=Cc6ccccc6C5(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3)=Cc3ccccc32)cc1
InChIInChI=1S/C87H69N/c1-58-19-37-70(38-20-58)85(71-39-21-59(2)22-40-71)79-16-10-7-13-67(79)55-82(85)64-31-49-76(50-32-64)88(77-51-33-65(34-52-77)83-56-68-14-8-11-17-80(68)86(83,72-41-23-60(3)24-42-72)73-43-25-61(4)26-44-73)78-53-35-66(36-54-78)84-57-69-15-9-12-18-81(69)87(84,74-45-27-62(5)28-46-74)75-47-29-63(6)30-48-75/h7-57H,1-6H3
InChIKeyFMOJYHCCSNPSTJ-UHFFFAOYSA-N
MW1128.52 g/mol
LogP21.67
Rot. Bonds12

About 4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline

4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline (PubChem CID 59729653) has the molecular formula C87H69N and a molecular weight of 1128.52 g/mol. Its IUPAC name is 4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline
PubChem CID59729653
Molecular FormulaC87H69N
Molecular Weight1128.52 g/mol
Exact Mass1127.54
IUPAC Name4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline
SMILESCc1ccc(C2(c3ccc(C)cc3)C(c3ccc(N(c4ccc(C5=Cc6ccccc6C5(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4ccc(C5=Cc6ccccc6C5(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3)=Cc3ccccc32)cc1
InChIInChI=1S/C87H69N/c1-58-19-37-70(38-20-58)85(71-39-21-59(2)22-40-71)79-16-10-7-13-67(79)55-82(85)64-31-49-76(50-32-64)88(77-51-33-65(34-52-77)83-56-68-14-8-11-17-80(68)86(83,72-41-23-60(3)24-42-72)73-43-25-61(4)26-44-73)78-53-35-66(36-54-78)84-57-69-15-9-12-18-81(69)87(84,74-45-27-62(5)28-46-74)75-47-29-63(6)30-48-75/h7-57H,1-6H3
InChIKeyFMOJYHCCSNPSTJ-UHFFFAOYSA-N
XLogP21.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001128.52
LogP ≤ 521.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine
CID 164744844
N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline
CID 164744849
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline
CID 164744457
4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline
CID 122230126
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline
CID 101495641
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline?
The IUPAC name of 4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline (CID 59729653) is 4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline.
What is the SMILES notation for 4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline?
The canonical SMILES for 4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline is Cc1ccc(C2(c3ccc(C)cc3)C(c3ccc(N(c4ccc(C5=Cc6ccccc6C5(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4ccc(C5=Cc6ccccc6C5(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3)=Cc3ccccc32)cc1.
What is the InChIKey of 4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline?
The InChIKey is FMOJYHCCSNPSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H69N/c1-58-19-37-70(38-20-58)85(71-39-21-59(2)22-40-71)79-16-10-7-13-67(79)55-82(85)64-31-49-76(50-32-64)88(77-51-33-65(34-52-77)83-56-68-14-8-11-17-80(68)86(83,72-41-23-60(3)24-42-72)73-43-25-61(4)26-44-73)78-53-35-66(36-54-78)84-57-69-15-9-12-18-81(69)87(84,74-45-27-62(5)28-46-74)75-47-29-63(6)30-48-75/h7-57H,1-6H3.
What are the key properties of 4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline?
4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline has a molecular weight of 1128.52 g/mol, XLogP of 21.67, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline is sourced from PubChem (CID 59729653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).