2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran

C42H30O — CID 166737765

IUPAC2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
SMILESC1=CCCC(c2c3c(c(-c4ccc5oc6cc(-c7cccc8ccccc78)ccc6c5c4)c4ccccc24)=CCCC=3)=C1
InChIInChI=1S/C42H30O/c1-2-12-28(13-3-1)41-34-16-6-8-18-36(34)42(37-19-9-7-17-35(37)41)30-22-24-39-38(25-30)33-23-21-29(26-40(33)43-39)32-20-10-14-27-11-4-5-15-31(27)32/h1-2,4-6,8,10-12,14-26H,3,7,9,13H2
InChIKeyUDLGIZYNFUBZOD-UHFFFAOYSA-N
MW550.70 g/mol
LogP10.31
Rot. Bonds3

About 2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran

2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran (PubChem CID 166737765) has the molecular formula C42H30O and a molecular weight of 550.70 g/mol. Its IUPAC name is 2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran.

Molecular Properties

Compound Name2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
PubChem CID166737765
Molecular FormulaC42H30O
Molecular Weight550.70 g/mol
Exact Mass550.23
IUPAC Name2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
SMILESC1=CCCC(c2c3c(c(-c4ccc5oc6cc(-c7cccc8ccccc78)ccc6c5c4)c4ccccc24)=CCCC=3)=C1
InChIInChI=1S/C42H30O/c1-2-12-28(13-3-1)41-34-16-6-8-18-36(34)42(37-19-9-7-17-35(37)41)30-22-24-39-38(25-30)33-23-21-29(26-40(33)43-39)32-20-10-14-27-11-4-5-15-31(27)32/h1-2,4-6,8,10-12,14-26H,3,7,9,13H2
InChIKeyUDLGIZYNFUBZOD-UHFFFAOYSA-N
XLogP10.31
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(10-cyclohexa-1,3-dien-1-ylanthracen-9-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
CID 130225797
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
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842
2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
CID 130212306
7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415800
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
18-[10-(4-cyclohexa-1,3-dien-1-ylphenyl)anthracen-9-yl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
CID 130212354
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524
2-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran
CID 146606998
7-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425860

Frequently Asked Questions

What is the IUPAC name of 2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran?
The IUPAC name of 2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran (CID 166737765) is 2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran.
What is the SMILES notation for 2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran?
The canonical SMILES for 2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran is C1=CCCC(c2c3c(c(-c4ccc5oc6cc(-c7cccc8ccccc78)ccc6c5c4)c4ccccc24)=CCCC=3)=C1.
What is the InChIKey of 2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran?
The InChIKey is UDLGIZYNFUBZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30O/c1-2-12-28(13-3-1)41-34-16-6-8-18-36(34)42(37-19-9-7-17-35(37)41)30-22-24-39-38(25-30)33-23-21-29(26-40(33)43-39)32-20-10-14-27-11-4-5-15-31(27)32/h1-2,4-6,8,10-12,14-26H,3,7,9,13H2.
What are the key properties of 2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran?
2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran has a molecular weight of 550.70 g/mol, XLogP of 10.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-7-naphthalen-1-yldibenzofuran is sourced from PubChem (CID 166737765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).