8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran

C40H32O — CID 163787074

IUPAC8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran
SMILESC1=CC2C3=C(CCC=C3)c3c(cc(C4=CC=C(c5ccc6oc7c(c6c5)CCC=C7)CC4)c4ccccc34)C2C=C1
InChIInChI=1S/C40H32O/c1-2-11-30-28(9-1)29-10-3-5-14-33(29)40-34-15-6-4-12-31(34)35(24-37(30)40)26-19-17-25(18-20-26)27-21-22-39-36(23-27)32-13-7-8-16-38(32)41-39/h1-4,6,8-12,15-17,19,21-24,28,30H,5,7,13-14,18,20H2
InChIKeyMTLRABDFFPQGPM-UHFFFAOYSA-N
MW528.70 g/mol
LogP10.75
Rot. Bonds2

About 8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran

8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran (PubChem CID 163787074) has the molecular formula C40H32O and a molecular weight of 528.70 g/mol. Its IUPAC name is 8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran.

Molecular Properties

Compound Name8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran
PubChem CID163787074
Molecular FormulaC40H32O
Molecular Weight528.70 g/mol
Exact Mass528.25
IUPAC Name8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran
SMILESC1=CC2C3=C(CCC=C3)c3c(cc(C4=CC=C(c5ccc6oc7c(c6c5)CCC=C7)CC4)c4ccccc34)C2C=C1
InChIInChI=1S/C40H32O/c1-2-11-30-28(9-1)29-10-3-5-14-33(29)40-34-15-6-4-12-31(34)35(24-37(30)40)26-19-17-25(18-20-26)27-21-22-39-36(23-27)32-13-7-8-16-38(32)41-39/h1-4,6,8-12,15-17,19,21-24,28,30H,5,7,13-14,18,20H2
InChIKeyMTLRABDFFPQGPM-UHFFFAOYSA-N
XLogP10.75
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran with MolForge

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Related Compounds

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CID 145140879
9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 175630373
2-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-4,6-di(carbazol-9-yl)-5-(8,9-dihydrodibenzofuran-2-yl)benzene-1,3-dicarbonitrile
CID 146562147
2-[4-[4-(5,6,8b,12a-tetrahydrotriphenylen-2-yl)-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]cyclohexa-1,5-dien-1-yl]-1-phenylbenzimidazole
CID 174349693
10-methyl-1,2,4b,8a-tetrahydrotriphenylene
CID 123827251
11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene
CID 88995013
2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran
CID 170051931
8-[4-amino-2-(3,4-dihydrocarbazol-9-yl)phenyl]-1,2-dihydrodibenzofuran-2-amine
CID 139566045
9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole
CID 123149050
6-[10-(4-cyclohexa-1,3-dien-1-ylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163460891
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578

Frequently Asked Questions

What is the IUPAC name of 8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran?
The IUPAC name of 8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran (CID 163787074) is 8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran.
What is the SMILES notation for 8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran?
The canonical SMILES for 8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran is C1=CC2C3=C(CCC=C3)c3c(cc(C4=CC=C(c5ccc6oc7c(c6c5)CCC=C7)CC4)c4ccccc34)C2C=C1.
What is the InChIKey of 8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran?
The InChIKey is MTLRABDFFPQGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32O/c1-2-11-30-28(9-1)29-10-3-5-14-33(29)40-34-15-6-4-12-31(34)35(24-37(30)40)26-19-17-25(18-20-26)27-21-22-39-36(23-27)32-13-7-8-16-38(32)41-39/h1-4,6,8-12,15-17,19,21-24,28,30H,5,7,13-14,18,20H2.
What are the key properties of 8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran?
8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran has a molecular weight of 528.70 g/mol, XLogP of 10.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran is sourced from PubChem (CID 163787074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).