8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran

C42H34O — CID 168993879

IUPAC8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran
SMILESC/C=C(/c1cccc(-c2c3c(c(-c4ccc5oc6c(c5c4)C=CCC6)c4ccccc24)CCC=C3)c1)c1ccccc1C
InChIInChI=1S/C42H34O/c1-3-31(32-16-5-4-13-27(32)2)28-14-12-15-29(25-28)41-34-18-6-8-20-36(34)42(37-21-9-7-19-35(37)41)30-23-24-40-38(26-30)33-17-10-11-22-39(33)43-40/h3-8,10,12-20,23-26H,9,11,21-22H2,1-2H3/b31-3-
InChIKeyFHCNKNKKAMRGAF-OBTGPCGCSA-N
MW554.73 g/mol
LogP11.60
Rot. Bonds4

About 8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran

8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran (PubChem CID 168993879) has the molecular formula C42H34O and a molecular weight of 554.73 g/mol. Its IUPAC name is 8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran.

Molecular Properties

Compound Name8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran
PubChem CID168993879
Molecular FormulaC42H34O
Molecular Weight554.73 g/mol
Exact Mass554.26
IUPAC Name8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran
SMILESC/C=C(/c1cccc(-c2c3c(c(-c4ccc5oc6c(c5c4)C=CCC6)c4ccccc24)CCC=C3)c1)c1ccccc1C
InChIInChI=1S/C42H34O/c1-3-31(32-16-5-4-13-27(32)2)28-14-12-15-29(25-28)41-34-18-6-8-20-36(34)42(37-21-9-7-19-35(37)41)30-23-24-40-38(26-30)33-17-10-11-22-39(33)43-40/h3-8,10,12-20,23-26H,9,11,21-22H2,1-2H3/b31-3-
InChIKeyFHCNKNKKAMRGAF-OBTGPCGCSA-N
XLogP11.60
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.73
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran
CID 170225073
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol
CID 163725515
9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole
CID 144541028
7-[10-(2-phenylphenyl)-3,4-dihydroanthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 144583429
2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174167803
CID 174139082
CID 174139082
2-[9-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-10-(3-phenanthren-9-ylphenyl)-7,8-dihydroanthracen-2-yl]dibenzofuran
CID 146668989
12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),18-octaene
CID 149414760
2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 155028360
10-methyl-9-(4-methylphenyl)-1,2-dihydroanthracene
CID 143123986
2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane
CID 142424800

Frequently Asked Questions

What is the IUPAC name of 8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran?
The IUPAC name of 8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran (CID 168993879) is 8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran.
What is the SMILES notation for 8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran?
The canonical SMILES for 8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran is C/C=C(/c1cccc(-c2c3c(c(-c4ccc5oc6c(c5c4)C=CCC6)c4ccccc24)CCC=C3)c1)c1ccccc1C.
What is the InChIKey of 8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran?
The InChIKey is FHCNKNKKAMRGAF-OBTGPCGCSA-N. The full InChI is InChI=1S/C42H34O/c1-3-31(32-16-5-4-13-27(32)2)28-14-12-15-29(25-28)41-34-18-6-8-20-36(34)42(37-21-9-7-19-35(37)41)30-23-24-40-38(26-30)33-17-10-11-22-39(33)43-40/h3-8,10,12-20,23-26H,9,11,21-22H2,1-2H3/b31-3-.
What are the key properties of 8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran?
8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran has a molecular weight of 554.73 g/mol, XLogP of 11.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran is sourced from PubChem (CID 168993879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).