6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran

C24H18O — CID 175970496

IUPAC6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran
SMILESC1=CCC(c2cccc3c2oc2cc(-c4ccccc4)ccc23)C=C1
InChIInChI=1S/C24H18O/c1-3-8-17(9-4-1)19-14-15-21-22-13-7-12-20(18-10-5-2-6-11-18)24(22)25-23(21)16-19/h1-10,12-16,18H,11H2
InChIKeyMXMQSAUDNRENQV-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.85
Rot. Bonds2

About 6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran

6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran (PubChem CID 175970496) has the molecular formula C24H18O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran.

Molecular Properties

Compound Name6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran
PubChem CID175970496
Molecular FormulaC24H18O
Molecular Weight322.41 g/mol
Exact Mass322.14
IUPAC Name6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran
SMILESC1=CCC(c2cccc3c2oc2cc(-c4ccccc4)ccc23)C=C1
InChIInChI=1S/C24H18O/c1-3-8-17(9-4-1)19-14-15-21-22-13-7-12-20(18-10-5-2-6-11-18)24(22)25-23(21)16-19/h1-10,12-16,18H,11H2
InChIKeyMXMQSAUDNRENQV-UHFFFAOYSA-N
XLogP6.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclohexa-2,4-dien-1-yl-9-[7-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]carbazole
CID 166668208
6-cyclohexa-2,4-dien-1-yl-2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-4-yl)-4-(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163688757
9-[2-cyclohexa-2,4-dien-1-yl-4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]-1,3,6,8-tetraphenylcarbazole
CID 165020345
2-(1-cyclohexa-2,4-dien-1-yldibenzofuran-3-yl)-4-phenanthren-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174259861
6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 71059027
2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline
CID 174275550
2-cyclohexa-2,4-dien-1-yl-4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167183078
6-bromo-3-cyclohexa-2,4-dien-1-yl-2-phenyl-1-benzofuran
CID 70904894
N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 130241398
3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole
CID 126620697
4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran
CID 142397321
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran?
The IUPAC name of 6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran (CID 175970496) is 6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran.
What is the SMILES notation for 6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran?
The canonical SMILES for 6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran is C1=CCC(c2cccc3c2oc2cc(-c4ccccc4)ccc23)C=C1.
What is the InChIKey of 6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran?
The InChIKey is MXMQSAUDNRENQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O/c1-3-8-17(9-4-1)19-14-15-21-22-13-7-12-20(18-10-5-2-6-11-18)24(22)25-23(21)16-19/h1-10,12-16,18H,11H2.
What are the key properties of 6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran?
6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran has a molecular weight of 322.41 g/mol, XLogP of 6.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran is sourced from PubChem (CID 175970496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).