5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran

C60H38O — CID 58340453

IUPAC5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran
SMILESc1ccc(-c2oc3c(-c4ccccc4)c(-c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4)c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C60H38O/c1-4-20-40(21-5-1)55-54(49-30-14-17-33-52(49)58-56(41-22-6-2-7-23-41)59(61-60(55)58)44-24-8-3-9-25-44)43-37-35-42(36-38-43)53-47-28-12-15-31-50(47)57(51-32-16-13-29-48(51)53)46-34-18-26-39-19-10-11-27-45(39)46/h1-38H
InChIKeyMQRKPIIRKBGERD-UHFFFAOYSA-N
MW774.96 g/mol
LogP17.05
Rot. Bonds6

About 5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran

5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran (PubChem CID 58340453) has the molecular formula C60H38O and a molecular weight of 774.96 g/mol. Its IUPAC name is 5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran.

Molecular Properties

Compound Name5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran
PubChem CID58340453
Molecular FormulaC60H38O
Molecular Weight774.96 g/mol
Exact Mass774.29
IUPAC Name5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran
SMILESc1ccc(-c2oc3c(-c4ccccc4)c(-c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4)c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C60H38O/c1-4-20-40(21-5-1)55-54(49-30-14-17-33-52(49)58-56(41-22-6-2-7-23-41)59(61-60(55)58)44-24-8-3-9-25-44)43-37-35-42(36-38-43)53-47-28-12-15-31-50(47)57(51-32-16-13-29-48(51)53)46-34-18-26-39-19-10-11-27-45(39)46/h1-38H
InChIKeyMQRKPIIRKBGERD-UHFFFAOYSA-N
XLogP17.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.96
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4,8-bis(4-naphthalen-1-ylphenyl)-2,3,6,7-tetraphenylfuro[2,3-f][1]benzofuran
CID 58160893
2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran
CID 58340427
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran
CID 121336223
7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran
CID 58239715
6-(10-naphthalen-1-ylanthracen-9-yl)-7-phenyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
CID 177264874
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
7-(10-phenylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 166831977
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774

Frequently Asked Questions

What is the IUPAC name of 5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran?
The IUPAC name of 5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran (CID 58340453) is 5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran.
What is the SMILES notation for 5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran?
The canonical SMILES for 5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran is c1ccc(-c2oc3c(-c4ccccc4)c(-c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4)c4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of 5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran?
The InChIKey is MQRKPIIRKBGERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38O/c1-4-20-40(21-5-1)55-54(49-30-14-17-33-52(49)58-56(41-22-6-2-7-23-41)59(61-60(55)58)44-24-8-3-9-25-44)43-37-35-42(36-38-43)53-47-28-12-15-31-50(47)57(51-32-16-13-29-48(51)53)46-34-18-26-39-19-10-11-27-45(39)46/h1-38H.
What are the key properties of 5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran?
5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran has a molecular weight of 774.96 g/mol, XLogP of 17.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran is sourced from PubChem (CID 58340453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).