8-pyren-1-ylnaphtho[1,2-b][1]benzofuran

C32H18O — CID 139341196

IUPAC8-pyren-1-ylnaphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(c1)ccc1c3cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc3oc21
InChIInChI=1S/C32H18O/c1-2-7-25-19(4-1)10-16-27-28-18-23(13-17-29(28)33-32(25)27)24-14-11-22-9-8-20-5-3-6-21-12-15-26(24)31(22)30(20)21/h1-18H
InChIKeyOZXRVOBZLKODSE-UHFFFAOYSA-N
MW418.50 g/mol
LogP9.30
Rot. Bonds1

About 8-pyren-1-ylnaphtho[1,2-b][1]benzofuran

8-pyren-1-ylnaphtho[1,2-b][1]benzofuran (PubChem CID 139341196) has the molecular formula C32H18O and a molecular weight of 418.50 g/mol. Its IUPAC name is 8-pyren-1-ylnaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name8-pyren-1-ylnaphtho[1,2-b][1]benzofuran
PubChem CID139341196
Molecular FormulaC32H18O
Molecular Weight418.50 g/mol
Exact Mass418.14
IUPAC Name8-pyren-1-ylnaphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(c1)ccc1c3cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc3oc21
InChIInChI=1S/C32H18O/c1-2-7-25-19(4-1)10-16-27-28-18-23(13-17-29(28)33-32(25)27)24-14-11-22-9-8-20-5-3-6-21-12-15-26(24)31(22)30(20)21/h1-18H
InChIKeyOZXRVOBZLKODSE-UHFFFAOYSA-N
XLogP9.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-pyren-1-yl-6-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556403
8-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 170374689
2-pyren-1-yl-8-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556407
8-pyren-2-ylnaphtho[1,2-b][1]benzofuran
CID 139341199
3,5-di(pyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940257
2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170150575
8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 138664837
6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran
CID 170150572
8-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433616
20-(6-anthracen-9-ylpyren-1-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 155008989
4-benzo[c]phenanthren-2-yl-2-pyren-1-ylnaphtho[2,3-b][1]benzofuran
CID 170940405
4-[3-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 58273516

Frequently Asked Questions

What is the IUPAC name of 8-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The IUPAC name of 8-pyren-1-ylnaphtho[1,2-b][1]benzofuran (CID 139341196) is 8-pyren-1-ylnaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 8-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 8-pyren-1-ylnaphtho[1,2-b][1]benzofuran is c1ccc2c(c1)ccc1c3cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc3oc21.
What is the InChIKey of 8-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The InChIKey is OZXRVOBZLKODSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18O/c1-2-7-25-19(4-1)10-16-27-28-18-23(13-17-29(28)33-32(25)27)24-14-11-22-9-8-20-5-3-6-21-12-15-26(24)31(22)30(20)21/h1-18H.
What are the key properties of 8-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
8-pyren-1-ylnaphtho[1,2-b][1]benzofuran has a molecular weight of 418.50 g/mol, XLogP of 9.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyren-1-ylnaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 139341196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).