1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran

C40H24O — CID 166501671

IUPAC1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
SMILES[2H]c1c([2H])c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2c(oc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1[2H]
InChIInChI=1S/C40H24O/c1-2-12-27-24-28(21-20-25(27)10-1)37-30-14-5-7-16-32(30)38(33-17-8-6-15-31(33)37)34-18-9-19-36-39(34)35-23-22-26-11-3-4-13-29(26)40(35)41-36/h1-24H/i3D,4D,9D,11D,13D,18D,19D,22D,23D
InChIKeyQVZOHNVSMLMEAU-ZGVXVWPXSA-N
MW529.69 g/mol
LogP11.53
Rot. Bonds2

About 1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran

1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 166501671) has the molecular formula C40H24O and a molecular weight of 529.69 g/mol. Its IUPAC name is 1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
PubChem CID166501671
Molecular FormulaC40H24O
Molecular Weight529.69 g/mol
Exact Mass529.24
IUPAC Name1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
SMILES[2H]c1c([2H])c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2c(oc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1[2H]
InChIInChI=1S/C40H24O/c1-2-12-27-24-28(21-20-25(27)10-1)37-30-14-5-7-16-32(30)38(33-17-8-6-15-31(33)37)34-18-9-19-36-39(34)35-23-22-26-11-3-4-13-29(26)40(35)41-36/h1-24H/i3D,4D,9D,11D,13D,18D,19D,22D,23D
InChIKeyQVZOHNVSMLMEAU-ZGVXVWPXSA-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 ≤ 500529.69
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

1,2,3,4,5,6,8,9,10-nonadeuterio-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
CID 166501767
1,2,4,5,6,8,9,10-octadeuterio-7-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran
CID 177072267
1,2,3,4,5,6-hexadeuterio-8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 170653826
1,2,3,4,5,6,8,9,10-nonadeuterio-7-[10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 170653878
1,2,3,4,5,6,8,9,10-nonadeuterio-7-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 170663987
1,2,3,6,7,8-hexadeuterio-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 167405486
1,2,3,4,5,6,8,9,10-nonadeuterio-7-[10-[2-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 170663699
1,2,3-trideuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 176786374
1,2,3,4,5,6,8,9,10-nonadeuterio-7-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 153473819
9-naphthalen-2-yl-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]anthracene
CID 167406859
2,3,4,6,7,8,9,10,11-nonadeuterio-1-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170663780
1,2,3,4,6,7,8-heptadeuterio-9-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 169293319

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of 1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (CID 166501671) is 1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is [2H]c1c([2H])c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2c(oc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1[2H].
What is the InChIKey of 1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The InChIKey is QVZOHNVSMLMEAU-ZGVXVWPXSA-N. The full InChI is InChI=1S/C40H24O/c1-2-12-27-24-28(21-20-25(27)10-1)37-30-14-5-7-16-32(30)38(33-17-8-6-15-31(33)37)34-18-9-19-36-39(34)35-23-22-26-11-3-4-13-29(26)40(35)41-36/h1-24H/i3D,4D,9D,11D,13D,18D,19D,22D,23D.
What are the key properties of 1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 529.69 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 1,2,3,4,5,6,8,9,10-nonadeuterio-7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 166501671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).