7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

C44H26O2 — CID 170654309

IUPAC7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)oc3cc5c(cc34)oc3ccccc35)c3ccccc23)cc1
InChIInChI=1S/C44H26O2/c1-2-12-27(13-3-1)29-14-4-5-16-32(29)44-35-19-8-6-17-33(35)43(34-18-7-9-20-36(34)44)28-22-23-31-38-26-41-37(25-42(38)46-40(31)24-28)30-15-10-11-21-39(30)45-41/h1-26H
InChIKeyFPPQOIZSHXSKPQ-UHFFFAOYSA-N
MW586.69 g/mol
LogP12.79
Rot. Bonds3

About 7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (PubChem CID 170654309) has the molecular formula C44H26O2 and a molecular weight of 586.69 g/mol. Its IUPAC name is 7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

Molecular Properties

Compound Name7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
PubChem CID170654309
Molecular FormulaC44H26O2
Molecular Weight586.69 g/mol
Exact Mass586.19
IUPAC Name7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)oc3cc5c(cc34)oc3ccccc35)c3ccccc23)cc1
InChIInChI=1S/C44H26O2/c1-2-12-27(13-3-1)29-14-4-5-16-32(29)44-35-19-8-6-17-33(35)43(34-18-7-9-20-36(34)44)28-22-23-31-38-26-41-37(25-42(38)46-40(31)24-28)30-15-10-11-21-39(30)45-41/h1-26H
InChIKeyFPPQOIZSHXSKPQ-UHFFFAOYSA-N
XLogP12.79
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene with MolForge

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Related Compounds

3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155334783
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319
3-(2-chloro-6-phenylphenyl)dibenzofuran
CID 170666298
6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-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 122415742
2-(10-phenylanthracen-9-yl)-7-(4-phenylphenyl)dibenzofuran;2-(10-phenylanthracen-9-yl)-8-(3-phenylphenyl)dibenzofuran;8-(10-phenylanthracen-9-yl)-1-(2-phenylphenyl)dibenzofuran
CID 157351443
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-[2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;3-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 163870537

Frequently Asked Questions

What is the IUPAC name of 7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The IUPAC name of 7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (CID 170654309) is 7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.
What is the SMILES notation for 7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The canonical SMILES for 7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)oc3cc5c(cc34)oc3ccccc35)c3ccccc23)cc1.
What is the InChIKey of 7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The InChIKey is FPPQOIZSHXSKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O2/c1-2-12-27(13-3-1)29-14-4-5-16-32(29)44-35-19-8-6-17-33(35)43(34-18-7-9-20-36(34)44)28-22-23-31-38-26-41-37(25-42(38)46-40(31)24-28)30-15-10-11-21-39(30)45-41/h1-26H.
What are the key properties of 7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene has a molecular weight of 586.69 g/mol, XLogP of 12.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is sourced from PubChem (CID 170654309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).