4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran

C44H28O — CID 70658695

IUPAC4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran
SMILESC=Cc1c(-c2cccc3c2oc2ccccc23)ccc2c1C(=C)c1c-2c(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C44H28O/c1-3-30-31(35-22-14-23-36-32-19-12-13-24-38(32)45-44(35)36)25-26-37-39(30)27(2)40-41(28-15-6-4-7-16-28)33-20-10-11-21-34(33)42(43(37)40)29-17-8-5-9-18-29/h3-26H,1-2H2
InChIKeyKNLZVRYPGVUDAY-UHFFFAOYSA-N
MW572.71 g/mol
LogP12.43
Rot. Bonds4

About 4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran

4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran (PubChem CID 70658695) has the molecular formula C44H28O and a molecular weight of 572.71 g/mol. Its IUPAC name is 4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran.

Molecular Properties

Compound Name4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran
PubChem CID70658695
Molecular FormulaC44H28O
Molecular Weight572.71 g/mol
Exact Mass572.21
IUPAC Name4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran
SMILESC=Cc1c(-c2cccc3c2oc2ccccc23)ccc2c1C(=C)c1c-2c(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C44H28O/c1-3-30-31(35-22-14-23-36-32-19-12-13-24-38(32)45-44(35)36)25-26-37-39(30)27(2)40-41(28-15-6-4-7-16-28)33-20-10-11-21-34(33)42(43(37)40)29-17-8-5-9-18-29/h3-26H,1-2H2
InChIKeyKNLZVRYPGVUDAY-UHFFFAOYSA-N
XLogP12.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
4-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165104271
4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 176639395
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 122415610
4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran
CID 155334125
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
CID 155334912
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 146652639
12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole
CID 144740954
N-(3-dibenzofuran-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063593

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran?
The IUPAC name of 4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran (CID 70658695) is 4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran.
What is the SMILES notation for 4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran?
The canonical SMILES for 4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran is C=Cc1c(-c2cccc3c2oc2ccccc23)ccc2c1C(=C)c1c-2c(-c2ccccc2)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran?
The InChIKey is KNLZVRYPGVUDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O/c1-3-30-31(35-22-14-23-36-32-19-12-13-24-38(32)45-44(35)36)25-26-37-39(30)27(2)40-41(28-15-6-4-7-16-28)33-20-10-11-21-34(33)42(43(37)40)29-17-8-5-9-18-29/h3-26H,1-2H2.
What are the key properties of 4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran?
4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran has a molecular weight of 572.71 g/mol, XLogP of 12.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran is sourced from PubChem (CID 70658695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).