4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene

C71H49NO2 — CID 145108575

IUPAC4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene
SMILESC=C=C(CC)c1cc(-c2ccccc2)ccc1N1c2ccc(C3=C(c4ccccc4C)CC=C3)cc2-c2cc(-c3cccc4oc5ccccc5c34)ccc2-c2cc(-c3cccc4oc5ccccc5c34)ccc21
InChIInChI=1S/C71H49NO2/c1-4-45(5-2)59-40-47(46-19-7-6-8-20-46)33-37-63(59)72-64-39-35-50(54-26-17-31-69-71(54)58-23-12-14-29-67(58)74-69)43-61(64)56-36-32-49(53-25-16-30-68-70(53)57-22-11-13-28-66(57)73-68)41-60(56)62-42-48(34-38-65(62)72)52-24-15-27-55(52)51-21-10-9-18-44(51)3/h6-26,28-43H,1,5,27H2,2-3H3
InChIKeyFEPFIEQMSAAAGS-UHFFFAOYSA-N
MW948.18 g/mol
LogP20.36
Rot. Bonds8

About 4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene

4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene (PubChem CID 145108575) has the molecular formula C71H49NO2 and a molecular weight of 948.18 g/mol. Its IUPAC name is 4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene.

Molecular Properties

Compound Name4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene
PubChem CID145108575
Molecular FormulaC71H49NO2
Molecular Weight948.18 g/mol
Exact Mass947.38
IUPAC Name4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene
SMILESC=C=C(CC)c1cc(-c2ccccc2)ccc1N1c2ccc(C3=C(c4ccccc4C)CC=C3)cc2-c2cc(-c3cccc4oc5ccccc5c34)ccc2-c2cc(-c3cccc4oc5ccccc5c34)ccc21
InChIInChI=1S/C71H49NO2/c1-4-45(5-2)59-40-47(46-19-7-6-8-20-46)33-37-63(59)72-64-39-35-50(54-26-17-31-69-71(54)58-23-12-14-29-67(58)74-69)43-61(64)56-36-32-49(53-25-16-30-68-70(53)57-22-11-13-28-66(57)73-68)41-60(56)62-42-48(34-38-65(62)72)52-24-15-27-55(52)51-21-10-9-18-44(51)3/h6-26,28-43H,1,5,27H2,2-3H3
InChIKeyFEPFIEQMSAAAGS-UHFFFAOYSA-N
XLogP20.36
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.18
LogP ≤ 520.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene with MolForge

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Related Compounds

2-[2-[4,10-di(dibenzofuran-1-yl)-18-[2-[(3E,5Z)-hepta-3,5-dien-1-yn-3-yl]cyclopenta-1,4-dien-1-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-14-yl]-5-phenylphenyl]propan-2-ol
CID 146554902
14-(2-chlorophenyl)-10,18-di(dibenzofuran-1-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 121446907
5-dibenzofuran-1-yl-1-(2-methylbenzoyl)-2-methylideneindol-3-one
CID 163394849
4,18-di(dibenzofuran-1-yl)-11-phenyl-8,14-bis(2-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171399750
4-dibenzofuran-1-yl-18-[2,4-di(propan-2-yl)phenyl]-11-phenyl-8,14-bis(2-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 171399740
methyl 2-dibenzofuran-1-yl-5-phenylbenzoate
CID 154647061
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
N-(4-dibenzofuran-1-ylphenyl)-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 164831550
1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran
CID 171421142
9-[2-(3-dibenzofuran-1-ylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166037435
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole
CID 139303441

Frequently Asked Questions

What is the IUPAC name of 4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene?
The IUPAC name of 4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene (CID 145108575) is 4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene.
What is the SMILES notation for 4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene?
The canonical SMILES for 4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene is C=C=C(CC)c1cc(-c2ccccc2)ccc1N1c2ccc(C3=C(c4ccccc4C)CC=C3)cc2-c2cc(-c3cccc4oc5ccccc5c34)ccc2-c2cc(-c3cccc4oc5ccccc5c34)ccc21.
What is the InChIKey of 4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene?
The InChIKey is FEPFIEQMSAAAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H49NO2/c1-4-45(5-2)59-40-47(46-19-7-6-8-20-46)33-37-63(59)72-64-39-35-50(54-26-17-31-69-71(54)58-23-12-14-29-67(58)74-69)43-61(64)56-36-32-49(53-25-16-30-68-70(53)57-22-11-13-28-66(57)73-68)41-60(56)62-42-48(34-38-65(62)72)52-24-15-27-55(52)51-21-10-9-18-44(51)3/h6-26,28-43H,1,5,27H2,2-3H3.
What are the key properties of 4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene?
4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene has a molecular weight of 948.18 g/mol, XLogP of 20.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-di(dibenzofuran-1-yl)-18-[2-(2-methylphenyl)cyclopenta-1,4-dien-1-yl]-14-(2-penta-1,2-dien-3-yl-4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaene is sourced from PubChem (CID 145108575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).