1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

C40H24O — CID 122415544

IUPAC1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc2cc3c(cc2c1)oc1cccc(-c2c4ccccc4c(-c4cccc5ccccc45)c4ccccc24)c13
InChIInChI=1S/C40H24O/c1-2-13-27-24-37-35(23-26(27)12-1)40-34(21-10-22-36(40)41-37)39-32-18-7-5-16-30(32)38(31-17-6-8-19-33(31)39)29-20-9-14-25-11-3-4-15-28(25)29/h1-24H
InChIKeyQATKBSFSMGHSHA-UHFFFAOYSA-N
MW520.63 g/mol
LogP11.53
Rot. Bonds2

About 1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 122415544) has the molecular formula C40H24O and a molecular weight of 520.63 g/mol. Its IUPAC name is 1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
PubChem CID122415544
Molecular FormulaC40H24O
Molecular Weight520.63 g/mol
Exact Mass520.18
IUPAC Name1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc2cc3c(cc2c1)oc1cccc(-c2c4ccccc4c(-c4cccc5ccccc45)c4ccccc24)c13
InChIInChI=1S/C40H24O/c1-2-13-27-24-37-35(23-26(27)12-1)40-34(21-10-22-36(40)41-37)39-32-18-7-5-16-30(32)38(31-17-6-8-19-33(31)39)29-20-9-14-25-11-3-4-15-28(25)29/h1-24H
InChIKeyQATKBSFSMGHSHA-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

1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 155203981
1-[10-(2,6-dideuterio-4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170654026
1-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170653606
1-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 170653499
1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170448028
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 146652642
8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 167077098
3-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 122426333
11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 155334130
1-[10-[2,3,4,5-tetradeuterio-6-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170662844
3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 155335055
4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 135183399

Frequently Asked Questions

What is the IUPAC name of 1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (CID 122415544) is 1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is c1ccc2cc3c(cc2c1)oc1cccc(-c2c4ccccc4c(-c4cccc5ccccc45)c4ccccc24)c13.
What is the InChIKey of 1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The InChIKey is QATKBSFSMGHSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24O/c1-2-13-27-24-37-35(23-26(27)12-1)40-34(21-10-22-36(40)41-37)39-32-18-7-5-16-30(32)38(31-17-6-8-19-33(31)39)29-20-9-14-25-11-3-4-15-28(25)29/h1-24H.
What are the key properties of 1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-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 1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 122415544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).