7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline

C39H25NO — CID 138661534

IUPAC7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline
SMILESC1=c2ccccc2=NC2c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc3OC12
InChIInChI=1S/C39H25NO/c1-2-10-25-21-27(18-17-24(25)9-1)37-29-12-4-6-14-31(29)38(32-15-7-5-13-30(32)37)28-19-20-35-33(22-28)39-36(41-35)23-26-11-3-8-16-34(26)40-39/h1-23,36,39H
InChIKeyGKZSQTPLNKBLHP-UHFFFAOYSA-N
MW523.64 g/mol
LogP8.40
Rot. Bonds2

About 7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline

7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline (PubChem CID 138661534) has the molecular formula C39H25NO and a molecular weight of 523.64 g/mol. Its IUPAC name is 7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline
PubChem CID138661534
Molecular FormulaC39H25NO
Molecular Weight523.64 g/mol
Exact Mass523.19
IUPAC Name7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline
SMILESC1=c2ccccc2=NC2c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc3OC12
InChIInChI=1S/C39H25NO/c1-2-10-25-21-27(18-17-24(25)9-1)37-29-12-4-6-14-31(29)38(32-15-7-5-13-30(32)37)28-19-20-35-33(22-28)39-36(41-35)23-26-11-3-8-16-34(26)40-39/h1-23,36,39H
InChIKeyGKZSQTPLNKBLHP-UHFFFAOYSA-N
XLogP8.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5a,11a-dihydronaphtho[2,3-b][1]benzofuran-2-yl)-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrimidine
CID 118503419
2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran
CID 118503414
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
trimethyl-[6-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-2-yl]silane
CID 58151270
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
trimethyl-(10-naphthalen-2-yl-9-phenylanthracen-2-yl)silane
CID 123999197
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427

Frequently Asked Questions

What is the IUPAC name of 7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline (CID 138661534) is 7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline is C1=c2ccccc2=NC2c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc3OC12.
What is the InChIKey of 7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline?
The InChIKey is GKZSQTPLNKBLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25NO/c1-2-10-25-21-27(18-17-24(25)9-1)37-29-12-4-6-14-31(29)38(32-15-7-5-13-30(32)37)28-19-20-35-33(22-28)39-36(41-35)23-26-11-3-8-16-34(26)40-39/h1-23,36,39H.
What are the key properties of 7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline?
7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline has a molecular weight of 523.64 g/mol, XLogP of 8.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 138661534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).