8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran

C40H24O — CID 90433778

IUPAC8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc34)cccc2c1
InChIInChI=1S/C40H24O/c1-3-13-28-25(10-1)12-9-19-30(28)39-33-17-7-5-15-31(33)38(32-16-6-8-18-34(32)39)27-21-23-37-36(24-27)35-22-20-26-11-2-4-14-29(26)40(35)41-37/h1-24H
InChIKeyJMETUNGBZJFPFN-UHFFFAOYSA-N
MW520.63 g/mol
LogP11.53
Rot. Bonds2

About 8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran

8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 90433778) has the molecular formula C40H24O and a molecular weight of 520.63 g/mol. Its IUPAC name is 8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
PubChem CID90433778
Molecular FormulaC40H24O
Molecular Weight520.63 g/mol
Exact Mass520.18
IUPAC Name8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc34)cccc2c1
InChIInChI=1S/C40H24O/c1-3-13-28-25(10-1)12-9-19-30(28)39-33-17-7-5-15-31(33)38(32-16-6-8-18-34(32)39)27-21-23-37-36(24-27)35-22-20-26-11-2-4-14-29(26)40(35)41-37/h1-24H
InChIKeyJMETUNGBZJFPFN-UHFFFAOYSA-N
XLogP11.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 511.53
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

8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran
CID 174293136
8-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 146651930
8-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433616
8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 153473930
8-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
CID 159518603
8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 158036336
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568839
26-(10-naphthalen-1-ylanthracen-9-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene
CID 154600211
8-(10-phenanthren-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(10-phenanthren-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(10-phenanthren-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(10-phenanthren-4-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 159303798
8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 135183547
8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;2-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 159959017
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301

Frequently Asked Questions

What is the IUPAC name of 8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of 8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (CID 90433778) is 8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is c1ccc2c(-c3c4ccccc4c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc34)cccc2c1.
What is the InChIKey of 8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The InChIKey is JMETUNGBZJFPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24O/c1-3-13-28-25(10-1)12-9-19-30(28)39-33-17-7-5-15-31(33)38(32-16-6-8-18-34(32)39)27-21-23-37-36(24-27)35-22-20-26-11-2-4-14-29(26)40(35)41-37/h1-24H.
What are the key properties of 8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 520.63 g/mol, XLogP of 11.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 90433778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).