N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline

C63H47NO — CID 154972808

IUPACN,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline
SMILESCC1C=CC(c2ccc(N(c3ccc(C4=CCC(C)C=C4)cc3)c3ccccc3-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)cc2)=CC1
InChIInChI=1S/C63H47NO/c1-40-22-26-42(27-23-40)44-30-34-46(35-31-44)64(47-36-32-45(33-37-47)43-28-24-41(2)25-29-43)58-20-9-5-13-49(58)52-17-11-16-51-48-12-3-7-18-55(48)63(61(51)52)56-19-8-4-15-54(56)60-57(63)39-38-53-50-14-6-10-21-59(50)65-62(53)60/h3-22,24,26-41H,23,25H2,1-2H3
InChIKeyRCIFYRWIVBEPEX-UHFFFAOYSA-N
MW834.07 g/mol
LogP17.03
Rot. Bonds6

About N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline

N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline (PubChem CID 154972808) has the molecular formula C63H47NO and a molecular weight of 834.07 g/mol. Its IUPAC name is N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline.

Molecular Properties

Compound NameN,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline
PubChem CID154972808
Molecular FormulaC63H47NO
Molecular Weight834.07 g/mol
Exact Mass833.37
IUPAC NameN,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline
SMILESCC1C=CC(c2ccc(N(c3ccc(C4=CCC(C)C=C4)cc3)c3ccccc3-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)cc2)=CC1
InChIInChI=1S/C63H47NO/c1-40-22-26-42(27-23-40)44-30-34-46(35-31-44)64(47-36-32-45(33-37-47)43-28-24-41(2)25-29-43)58-20-9-5-13-49(58)52-17-11-16-51-48-12-3-7-18-55(48)63(61(51)52)56-19-8-4-15-54(56)60-57(63)39-38-53-50-14-6-10-21-59(50)65-62(53)60/h3-22,24,26-41H,23,25H2,1-2H3
InChIKeyRCIFYRWIVBEPEX-UHFFFAOYSA-N
XLogP17.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.07
LogP ≤ 517.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline with MolForge

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Related Compounds

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 160595414
N,N-bis(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine
CID 161119301
1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 130379579
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine
CID 121444454
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 146251247
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
N,1'-diphenyl-N,1'-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,4'-indeno[1,2-b]pyrrol-1-ium]-8'-amine
CID 123537295
N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
CID 134524868
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308754
N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130379490

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline?
The IUPAC name of N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline (CID 154972808) is N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline.
What is the SMILES notation for N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline?
The canonical SMILES for N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline is CC1C=CC(c2ccc(N(c3ccc(C4=CCC(C)C=C4)cc3)c3ccccc3-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)cc2)=CC1.
What is the InChIKey of N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline?
The InChIKey is RCIFYRWIVBEPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47NO/c1-40-22-26-42(27-23-40)44-30-34-46(35-31-44)64(47-36-32-45(33-37-47)43-28-24-41(2)25-29-43)58-20-9-5-13-49(58)52-17-11-16-51-48-12-3-7-18-55(48)63(61(51)52)56-19-8-4-15-54(56)60-57(63)39-38-53-50-14-6-10-21-59(50)65-62(53)60/h3-22,24,26-41H,23,25H2,1-2H3.
What are the key properties of N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline?
N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline has a molecular weight of 834.07 g/mol, XLogP of 17.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline is sourced from PubChem (CID 154972808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).