7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline

C42H26N2O — CID 134559674

IUPAC7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline
SMILESC1=Cc2c(c(-c3c4ccccc4nc4c3ccc3cccnc34)c3ccccc3c2-c2ccc3c(c2)oc2ccccc23)CC1
InChIInChI=1S/C42H26N2O/c1-3-14-31-29(12-1)38(26-20-21-28-27-11-6-8-18-36(27)45-37(28)24-26)30-13-2-4-15-32(30)39(31)40-33-16-5-7-17-35(33)44-42-34(40)22-19-25-10-9-23-43-41(25)42/h1-3,5-14,16-24H,4,15H2
InChIKeyVRGKSJSBYNOVCA-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.28
Rot. Bonds2

About 7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline

7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline (PubChem CID 134559674) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline
PubChem CID134559674
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline
SMILESC1=Cc2c(c(-c3c4ccccc4nc4c3ccc3cccnc34)c3ccccc3c2-c2ccc3c(c2)oc2ccccc23)CC1
InChIInChI=1S/C42H26N2O/c1-3-14-31-29(12-1)38(26-20-21-28-27-11-6-8-18-36(27)45-37(28)24-26)30-13-2-4-15-32(30)39(31)40-33-16-5-7-17-35(33)44-42-34(40)22-19-25-10-9-23-43-41(25)42/h1-3,5-14,16-24H,4,15H2
InChIKeyVRGKSJSBYNOVCA-UHFFFAOYSA-N
XLogP11.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-triphenylen-2-ylbenzo[b][1,10]phenanthroline
CID 139446092
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539
4-[7-(3-dibenzofuran-2-ylphenyl)benzo[b][1,10]phenanthrolin-10-yl]-7-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 165067855
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
7-[7-(1,10-phenanthrolin-5-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559393
5-(10-phenyl-1,2-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 174288134
1-methyl-7-(10-phenyl-1,2-dihydroanthracen-9-yl)-2-[(Z)-prop-1-enyl]dibenzofuran
CID 170225073
2-[9-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-10-(3-phenanthren-9-ylphenyl)-7,8-dihydroanthracen-2-yl]dibenzofuran
CID 146668989
7-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559203
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451
5-dibenzofuran-2-yl-10-phenylbenzo[g]quinoline
CID 59183832

Frequently Asked Questions

What is the IUPAC name of 7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline?
The IUPAC name of 7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline (CID 134559674) is 7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline?
The canonical SMILES for 7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline is C1=Cc2c(c(-c3c4ccccc4nc4c3ccc3cccnc34)c3ccccc3c2-c2ccc3c(c2)oc2ccccc23)CC1.
What is the InChIKey of 7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline?
The InChIKey is VRGKSJSBYNOVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-3-14-31-29(12-1)38(26-20-21-28-27-11-6-8-18-36(27)45-37(28)24-26)30-13-2-4-15-32(30)39(31)40-33-16-5-7-17-35(33)44-42-34(40)22-19-25-10-9-23-43-41(25)42/h1-3,5-14,16-24H,4,15H2.
What are the key properties of 7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline?
7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline has a molecular weight of 574.68 g/mol, XLogP of 11.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline is sourced from PubChem (CID 134559674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).