10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline

C38H22N2O — CID 146301042

IUPAC10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline
SMILESc1cnc2c(c1)ccc1cccc(-c3ccc4oc5ccc(-c6cccc7ccc8cccnc8c67)cc5c4c3)c12
InChIInChI=1S/C38H22N2O/c1-5-23-11-13-25-7-3-19-39-37(25)35(23)29(9-1)27-15-17-33-31(21-27)32-22-28(16-18-34(32)41-33)30-10-2-6-24-12-14-26-8-4-20-40-38(26)36(24)30/h1-22H
InChIKeyOKWVXPZTGPKQOH-UHFFFAOYSA-N
MW522.61 g/mol
LogP10.32
Rot. Bonds2

About 10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline

10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline (PubChem CID 146301042) has the molecular formula C38H22N2O and a molecular weight of 522.61 g/mol. Its IUPAC name is 10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline.

Molecular Properties

Compound Name10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline
PubChem CID146301042
Molecular FormulaC38H22N2O
Molecular Weight522.61 g/mol
Exact Mass522.17
IUPAC Name10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline
SMILESc1cnc2c(c1)ccc1cccc(-c3ccc4oc5ccc(-c6cccc7ccc8cccnc8c67)cc5c4c3)c12
InChIInChI=1S/C38H22N2O/c1-5-23-11-13-25-7-3-19-39-37(25)35(23)29(9-1)27-15-17-33-31(21-27)32-22-28(16-18-34(32)41-33)30-10-2-6-24-12-14-26-8-4-20-40-38(26)36(24)30/h1-22H
InChIKeyOKWVXPZTGPKQOH-UHFFFAOYSA-N
XLogP10.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine
CID 166041138
10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline
CID 146301174
4-[8-(1,10-phenanthrolin-2-yl)dibenzofuran-1-yl]benzonitrile
CID 146990897
7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471874
2-[9-[4-(2-isocyanophenyl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline
CID 153277486
4-[3-benzo[h]quinolin-10-yl-10-(4-cyanophenyl)anthracen-9-yl]benzonitrile
CID 58323720
2-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 118503436
10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline
CID 118003234
2-[4-[6-[3,5-bis(3-dibenzofuran-2-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 123640065
8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)quinoline
CID 153483758
2-(27-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.021,26]nonacosa-1(29),2(11),3,5,7,9,12,14,16,18,20(28),21(26),22,24-tetradecaen-23-yl)-1,10-phenanthroline
CID 146511117
2-pyren-1-yl-8-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556407

Frequently Asked Questions

What is the IUPAC name of 10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline?
The IUPAC name of 10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline (CID 146301042) is 10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline.
What is the SMILES notation for 10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline?
The canonical SMILES for 10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline is c1cnc2c(c1)ccc1cccc(-c3ccc4oc5ccc(-c6cccc7ccc8cccnc8c67)cc5c4c3)c12.
What is the InChIKey of 10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline?
The InChIKey is OKWVXPZTGPKQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2O/c1-5-23-11-13-25-7-3-19-39-37(25)35(23)29(9-1)27-15-17-33-31(21-27)32-22-28(16-18-34(32)41-33)30-10-2-6-24-12-14-26-8-4-20-40-38(26)36(24)30/h1-22H.
What are the key properties of 10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline?
10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline has a molecular weight of 522.61 g/mol, XLogP of 10.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline is sourced from PubChem (CID 146301042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).