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

C54H32O — CID 170940190

IUPAC10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)c5c4oc4c6ccccc6ccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C54H32O/c1-2-9-33(10-3-1)40-29-30-41(45-16-7-6-15-44(40)45)35-17-19-36(20-18-35)43-31-32-48(52-49-28-23-34-11-4-5-14-42(34)53(49)55-54(43)52)46-26-24-39-22-21-37-12-8-13-38-25-27-47(46)51(39)50(37)38/h1-32H
InChIKeyGWFLHJUKGCIBRR-UHFFFAOYSA-N
MW696.85 g/mol
LogP15.46
Rot. Bonds4

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

10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran (PubChem CID 170940190) has the molecular formula C54H32O and a molecular weight of 696.85 g/mol. Its IUPAC name is 10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
PubChem CID170940190
Molecular FormulaC54H32O
Molecular Weight696.85 g/mol
Exact Mass696.25
IUPAC Name10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)c5c4oc4c6ccccc6ccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C54H32O/c1-2-9-33(10-3-1)40-29-30-41(45-16-7-6-15-44(40)45)35-17-19-36(20-18-35)43-31-32-48(52-49-28-23-34-11-4-5-14-42(34)53(49)55-54(43)52)46-26-24-39-22-21-37-12-8-13-38-25-27-47(46)51(39)50(37)38/h1-32H
InChIKeyGWFLHJUKGCIBRR-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

7-pyren-1-yl-10-(4-pyren-1-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 170939904
4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran
CID 170940335
7-pyren-1-yl-10-pyren-2-ylnaphtho[1,2-b][1]benzofuran
CID 170939990
4-phenyl-7,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170939803
10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940014
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-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
4-(4-naphthalen-1-ylphenyl)-1-(6-phenylpyren-1-yl)naphtho[2,3-b][1]benzofuran
CID 170939934
3,9-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 170940079
1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170658024
10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170939858

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The IUPAC name of 10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran (CID 170940190) is 10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran is c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)c5c4oc4c6ccccc6ccc45)cc3)c3ccccc23)cc1.
What is the InChIKey of 10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The InChIKey is GWFLHJUKGCIBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32O/c1-2-9-33(10-3-1)40-29-30-41(45-16-7-6-15-44(40)45)35-17-19-36(20-18-35)43-31-32-48(52-49-28-23-34-11-4-5-14-42(34)53(49)55-54(43)52)46-26-24-39-22-21-37-12-8-13-38-25-27-47(46)51(39)50(37)38/h1-32H.
What are the key properties of 10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[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-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 170940190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).