4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran

C60H34O — CID 170940335

IUPAC4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2cccc3c2ccc2c3oc3c(-c4ccc5ccc6cccc7ccc4c5c67)ccc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)c32)cc1
InChIInChI=1S/C60H34O/c1-2-7-35(8-3-1)44-13-6-14-51-47(44)32-34-53-58-46(37-17-15-36(16-18-37)45-27-23-42-21-19-38-9-4-11-40-25-29-49(45)56(42)54(38)40)31-33-52(60(58)61-59(51)53)48-28-24-43-22-20-39-10-5-12-41-26-30-50(48)57(43)55(39)41/h1-34H
InChIKeyUJBVOOUJADFYDX-UHFFFAOYSA-N
MW770.93 g/mol
LogP17.20
Rot. Bonds4

About 4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran

4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran (PubChem CID 170940335) has the molecular formula C60H34O and a molecular weight of 770.93 g/mol. Its IUPAC name is 4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran
PubChem CID170940335
Molecular FormulaC60H34O
Molecular Weight770.93 g/mol
Exact Mass770.26
IUPAC Name4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2cccc3c2ccc2c3oc3c(-c4ccc5ccc6cccc7ccc4c5c67)ccc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)c32)cc1
InChIInChI=1S/C60H34O/c1-2-7-35(8-3-1)44-13-6-14-51-47(44)32-34-53-58-46(37-17-15-36(16-18-37)45-27-23-42-21-19-38-9-4-11-40-25-29-49(45)56(42)54(38)40)31-33-52(60(58)61-59(51)53)48-28-24-43-22-20-39-10-5-12-41-26-30-50(48)57(43)55(39)41/h1-34H
InChIKeyUJBVOOUJADFYDX-UHFFFAOYSA-N
XLogP17.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.93
LogP ≤ 517.20
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

4-phenyl-7,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170939803
10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170940190
10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940014
7-pyren-1-yl-10-(4-pyren-1-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 170939904
7-benzo[g]phenanthren-3-yl-10-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170940159
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
3,7-di(pyren-1-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 170940121
7-pyren-1-yl-10-pyren-2-ylnaphtho[1,2-b][1]benzofuran
CID 170939990
7-(6-phenylpyren-1-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 171575655
8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940136
9-(4-naphthalen-1-ylphenyl)-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940142
4-[4-[6-(4-phenylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273601

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of 4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran (CID 170940335) is 4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran is c1ccc(-c2cccc3c2ccc2c3oc3c(-c4ccc5ccc6cccc7ccc4c5c67)ccc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)c32)cc1.
What is the InChIKey of 4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran?
The InChIKey is UJBVOOUJADFYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34O/c1-2-7-35(8-3-1)44-13-6-14-51-47(44)32-34-53-58-46(37-17-15-36(16-18-37)45-27-23-42-21-19-38-9-4-11-40-25-29-49(45)56(42)54(38)40)31-33-52(60(58)61-59(51)53)48-28-24-43-22-20-39-10-5-12-41-26-30-50(48)57(43)55(39)41/h1-34H.
What are the key properties of 4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran?
4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran has a molecular weight of 770.93 g/mol, XLogP of 17.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 170940335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).