1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran

C36H28O — CID 170225073

IUPAC1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran
SMILESC/C=C\c1ccc2oc3cc(-c4c5c(c(-c6ccccc6)c6ccccc46)C=CCC5)ccc3c2c1C
InChIInChI=1S/C36H28O/c1-3-11-24-19-21-32-34(23(24)2)31-20-18-26(22-33(31)37-32)36-29-16-9-7-14-27(29)35(25-12-5-4-6-13-25)28-15-8-10-17-30(28)36/h3-9,11-16,18-22H,10,17H2,1-2H3/b11-3-
InChIKeyAGUYCVGCQUSSGM-JYOAFUTRSA-N
MW476.62 g/mol
LogP10.37
Rot. Bonds3

About 1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran

1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran (PubChem CID 170225073) has the molecular formula C36H28O and a molecular weight of 476.62 g/mol. Its IUPAC name is 1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran.

Molecular Properties

Compound Name1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran
PubChem CID170225073
Molecular FormulaC36H28O
Molecular Weight476.62 g/mol
Exact Mass476.21
IUPAC Name1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran
SMILESC/C=C\c1ccc2oc3cc(-c4c5c(c(-c6ccccc6)c6ccccc46)C=CCC5)ccc3c2c1C
InChIInChI=1S/C36H28O/c1-3-11-24-19-21-32-34(23(24)2)31-20-18-26(22-33(31)37-32)36-29-16-9-7-14-27(29)35(25-12-5-4-6-13-25)28-15-8-10-17-30(28)36/h3-9,11-16,18-22H,10,17H2,1-2H3/b11-3-
InChIKeyAGUYCVGCQUSSGM-JYOAFUTRSA-N
XLogP10.37
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174167803
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
8-[10-[3-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-1,2-dihydroanthracen-9-yl]-3,4-dihydrodibenzofuran
CID 168993879
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
6-[4-(10-phenylanthracen-9-yl)phenyl]-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(21),17-decaene
CID 163586642
3-[10-[4-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]phenyl]-1,2-dihydroanthracen-9-yl]dibenzofuran
CID 155199860
2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 155028360
10-methyl-9-(4-methylphenyl)-1,2-dihydroanthracene
CID 143123986
6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 130212286
CID 174139082
CID 174139082
2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 129305926
dimethyl-methylidene-[4-[10-(4-phenylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]-λ5-phosphane
CID 166895339

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran?
The IUPAC name of 1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran (CID 170225073) is 1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran.
What is the SMILES notation for 1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran?
The canonical SMILES for 1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran is C/C=C\c1ccc2oc3cc(-c4c5c(c(-c6ccccc6)c6ccccc46)C=CCC5)ccc3c2c1C.
What is the InChIKey of 1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran?
The InChIKey is AGUYCVGCQUSSGM-JYOAFUTRSA-N. The full InChI is InChI=1S/C36H28O/c1-3-11-24-19-21-32-34(23(24)2)31-20-18-26(22-33(31)37-32)36-29-16-9-7-14-27(29)35(25-12-5-4-6-13-25)28-15-8-10-17-30(28)36/h3-9,11-16,18-22H,10,17H2,1-2H3/b11-3-.
What are the key properties of 1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran?
1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran has a molecular weight of 476.62 g/mol, XLogP of 10.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran is sourced from PubChem (CID 170225073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).