10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran

C54H32O — CID 170940014

IUPAC10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2cccc3c2ccc2c3oc3c(-c4ccc5ccccc5c4)ccc(-c4ccc5ccc6c(-c7ccccc7)ccc7ccc4c5c76)c32)cc1
InChIInChI=1S/C54H32O/c1-3-11-34(12-4-1)40-16-9-17-48-43(40)29-31-49-52-47(30-28-42(54(52)55-53(48)49)39-19-18-33-10-7-8-15-38(33)32-39)44-25-21-37-22-26-45-41(35-13-5-2-6-14-35)24-20-36-23-27-46(44)51(37)50(36)45/h1-32H
InChIKeyCJLTVJPKLKSAGF-UHFFFAOYSA-N
MW696.85 g/mol
LogP15.46
Rot. Bonds4

About 10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran

10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 170940014) has the molecular formula C54H32O and a molecular weight of 696.85 g/mol. Its IUPAC name is 10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
PubChem CID170940014
Molecular FormulaC54H32O
Molecular Weight696.85 g/mol
Exact Mass696.25
IUPAC Name10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2cccc3c2ccc2c3oc3c(-c4ccc5ccccc5c4)ccc(-c4ccc5ccc6c(-c7ccccc7)ccc7ccc4c5c76)c32)cc1
InChIInChI=1S/C54H32O/c1-3-11-34(12-4-1)40-16-9-17-48-43(40)29-31-49-52-47(30-28-42(54(52)55-53(48)49)39-19-18-33-10-7-8-15-38(33)32-39)44-25-21-37-22-26-45-41(35-13-5-2-6-14-35)24-20-36-23-27-46(44)51(37)50(36)45/h1-32H
InChIKeyCJLTVJPKLKSAGF-UHFFFAOYSA-N
XLogP15.46
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.85
LogP ≤ 515.46
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
4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran
CID 170940335
10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170940190
4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran
CID 174168113
2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170150575
4-[6-(6-phenylpyren-1-yl)naphthalen-2-yl]dibenzofuran
CID 58273738
7-pyren-1-yl-10-pyren-2-ylnaphtho[1,2-b][1]benzofuran
CID 170939990
4-(4-naphthalen-1-ylphenyl)-1-(6-phenylpyren-1-yl)naphtho[2,3-b][1]benzofuran
CID 170939934
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819
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
6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran
CID 176846437
4-(4-pyren-1-ylnaphthalen-1-yl)dibenzofuran;4-(6-pyren-1-ylnaphthalen-2-yl)dibenzofuran;4-[3-(4-pyren-1-ylphenyl)phenyl]dibenzofuran;4-[4-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 159155826

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of 10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran (CID 170940014) is 10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran is c1ccc(-c2cccc3c2ccc2c3oc3c(-c4ccc5ccccc5c4)ccc(-c4ccc5ccc6c(-c7ccccc7)ccc7ccc4c5c76)c32)cc1.
What is the InChIKey of 10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran?
The InChIKey is CJLTVJPKLKSAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32O/c1-3-11-34(12-4-1)40-16-9-17-48-43(40)29-31-49-52-47(30-28-42(54(52)55-53(48)49)39-19-18-33-10-7-8-15-38(33)32-39)44-25-21-37-22-26-45-41(35-13-5-2-6-14-35)24-20-36-23-27-46(44)51(37)50(36)45/h1-32H.
What are the key properties of 10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran?
10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 696.85 g/mol, XLogP of 15.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 170940014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).