N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline

C74H63NO2 — CID 156827013

IUPACN-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline
SMILESC=c1c2c(o/c1=C/C=C\C)C(C1=CCC(N(C3=CC=CCC3c3cccc(-c4ccc5c(c4)C4=C(C=CCC4)C5(C4=CCCC=C4)c4ccccc4)c3)c3cccc(-c4cccc5c4oc4ccccc45)c3)C=C1)CCC2
InChIInChI=1S/C74H63NO2/c1-3-4-38-70-49(2)59-32-19-33-61(72(59)76-70)50-40-43-57(44-41-50)75(58-28-18-23-54(47-58)62-34-20-35-65-64-31-13-16-39-71(64)77-73(62)65)69-37-15-12-29-60(69)53-22-17-21-51(46-53)52-42-45-68-66(48-52)63-30-11-14-36-67(63)74(68,55-24-7-5-8-25-55)56-26-9-6-10-27-56/h3-5,7-9,12-18,20-28,31,34-43,45-48,57,60-61H,2,6,10-11,19,29-30,32-33,44H2,1H3/b4-3-,70-38+
InChIKeyKTGKSZNZDNDIJE-UKVHGEOQSA-N
MW998.32 g/mol
LogP17.77
Rot. Bonds10

About N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline

N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline (PubChem CID 156827013) has the molecular formula C74H63NO2 and a molecular weight of 998.32 g/mol. Its IUPAC name is N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline.

Molecular Properties

Compound NameN-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline
PubChem CID156827013
Molecular FormulaC74H63NO2
Molecular Weight998.32 g/mol
Exact Mass997.49
IUPAC NameN-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline
SMILESC=c1c2c(o/c1=C/C=C\C)C(C1=CCC(N(C3=CC=CCC3c3cccc(-c4ccc5c(c4)C4=C(C=CCC4)C5(C4=CCCC=C4)c4ccccc4)c3)c3cccc(-c4cccc5c4oc4ccccc45)c3)C=C1)CCC2
InChIInChI=1S/C74H63NO2/c1-3-4-38-70-49(2)59-32-19-33-61(72(59)76-70)50-40-43-57(44-41-50)75(58-28-18-23-54(47-58)62-34-20-35-65-64-31-13-16-39-71(64)77-73(62)65)69-37-15-12-29-60(69)53-22-17-21-51(46-53)52-42-45-68-66(48-52)63-30-11-14-36-67(63)74(68,55-24-7-5-8-25-55)56-26-9-6-10-27-56/h3-5,7-9,12-18,20-28,31,34-43,45-48,57,60-61H,2,6,10-11,19,29-30,32-33,44H2,1H3/b4-3-,70-38+
InChIKeyKTGKSZNZDNDIJE-UKVHGEOQSA-N
XLogP17.77
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.32
LogP ≤ 517.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline with MolForge

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Related Compounds

4-[4-[9-(4-phenylphenyl)-3,4-dihydrofluoren-9-yl]phenyl]dibenzofuran
CID 66656897
N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839908
3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine
CID 138488855
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;4-N,4-N-diphenyl-1-N-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 158633743
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839605
9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine
CID 144660484
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158851525
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769
3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381580
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine
CID 156827268
3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline
CID 156827010
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 135193296

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline?
The IUPAC name of N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline (CID 156827013) is N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline.
What is the SMILES notation for N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline?
The canonical SMILES for N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline is C=c1c2c(o/c1=C/C=C\C)C(C1=CCC(N(C3=CC=CCC3c3cccc(-c4ccc5c(c4)C4=C(C=CCC4)C5(C4=CCCC=C4)c4ccccc4)c3)c3cccc(-c4cccc5c4oc4ccccc45)c3)C=C1)CCC2.
What is the InChIKey of N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline?
The InChIKey is KTGKSZNZDNDIJE-UKVHGEOQSA-N. The full InChI is InChI=1S/C74H63NO2/c1-3-4-38-70-49(2)59-32-19-33-61(72(59)76-70)50-40-43-57(44-41-50)75(58-28-18-23-54(47-58)62-34-20-35-65-64-31-13-16-39-71(64)77-73(62)65)69-37-15-12-29-60(69)53-22-17-21-51(46-53)52-42-45-68-66(48-52)63-30-11-14-36-67(63)74(68,55-24-7-5-8-25-55)56-26-9-6-10-27-56/h3-5,7-9,12-18,20-28,31,34-43,45-48,57,60-61H,2,6,10-11,19,29-30,32-33,44H2,1H3/b4-3-,70-38+.
What are the key properties of N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline?
N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline has a molecular weight of 998.32 g/mol, XLogP of 17.77, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline is sourced from PubChem (CID 156827013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).