7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran

C43H30O — CID 167085496

IUPAC7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran
SMILESC=Cc1ccc2c(oc3cccc(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)c32)c1/C=C\C
InChIInChI=1S/C43H30O/c1-3-14-32-28(4-2)25-26-38-42-37(23-13-24-39(42)44-43(32)38)41-35-21-10-8-19-33(35)40(34-20-9-11-22-36(34)41)31-18-12-17-30(27-31)29-15-6-5-7-16-29/h3-27H,2H2,1H3/b14-3-
InChIKeyMIEKEBKRQAQJEM-BNNQUZSASA-N
MW562.71 g/mol
LogP12.57
Rot. Bonds5

About 7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran

7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran (PubChem CID 167085496) has the molecular formula C43H30O and a molecular weight of 562.71 g/mol. Its IUPAC name is 7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran.

Molecular Properties

Compound Name7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran
PubChem CID167085496
Molecular FormulaC43H30O
Molecular Weight562.71 g/mol
Exact Mass562.23
IUPAC Name7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran
SMILESC=Cc1ccc2c(oc3cccc(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)c32)c1/C=C\C
InChIInChI=1S/C43H30O/c1-3-14-32-28(4-2)25-26-38-42-37(23-13-24-39(42)44-43(32)38)41-35-21-10-8-19-33(35)40(34-20-9-11-22-36(34)41)31-18-12-17-30(27-31)29-15-6-5-7-16-29/h3-27H,2H2,1H3/b14-3-
InChIKeyMIEKEBKRQAQJEM-BNNQUZSASA-N
XLogP12.57
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.71
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-ethenyl-12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-[(Z)-prop-1-enyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 130198999
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176777662
6-[(1Z)-buta-1,3-dienyl]-7-methyl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 166843978
3-ethenyl-8-[10-(3-phenylphenyl)anthracen-9-yl]-2-[(Z)-prop-1-enyl]-[1]benzofuro[7,6-b][1]benzofuran
CID 170224009
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
11-ethenyl-6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-[(Z)-prop-1-enyl]-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167022348
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 174167645
1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-(3-phenylphenyl)dibenzofuran
CID 165169810
1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole
CID 123383363
1-(10-phenylanthracen-9-yl)-6-(2-phenylphenyl)dibenzofuran
CID 134169518
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 162495161

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran?
The IUPAC name of 7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran (CID 167085496) is 7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran.
What is the SMILES notation for 7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran?
The canonical SMILES for 7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran is C=Cc1ccc2c(oc3cccc(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)c32)c1/C=C\C.
What is the InChIKey of 7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran?
The InChIKey is MIEKEBKRQAQJEM-BNNQUZSASA-N. The full InChI is InChI=1S/C43H30O/c1-3-14-32-28(4-2)25-26-38-42-37(23-13-24-39(42)44-43(32)38)41-35-21-10-8-19-33(35)40(34-20-9-11-22-36(34)41)31-18-12-17-30(27-31)29-15-6-5-7-16-29/h3-27H,2H2,1H3/b14-3-.
What are the key properties of 7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran?
7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran has a molecular weight of 562.71 g/mol, XLogP of 12.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran is sourced from PubChem (CID 167085496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).