3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran

C46H28O — CID 134487576

IUPAC3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3cc3c2oc2cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc23)cc1
InChIInChI=1S/C46H28O/c1-2-13-30(14-3-1)45-35-17-7-6-16-32(35)27-41-36-25-24-34(28-42(36)47-46(41)45)44-39-20-10-8-18-37(39)43(38-19-9-11-21-40(38)44)33-23-22-29-12-4-5-15-31(29)26-33/h1-28H
InChIKeyXWOQEOIOLUCUBY-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

About 3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran

3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran (PubChem CID 134487576) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran
PubChem CID134487576
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3cc3c2oc2cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc23)cc1
InChIInChI=1S/C46H28O/c1-2-13-30(14-3-1)45-35-17-7-6-16-32(35)27-41-36-25-24-34(28-42(36)47-46(41)45)44-39-20-10-8-18-37(39)43(38-19-9-11-21-40(38)44)33-23-22-29-12-4-5-15-31(29)26-33/h1-28H
InChIKeyXWOQEOIOLUCUBY-UHFFFAOYSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 513.20
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

6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 122425709
6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran
CID 88568966
6-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 88568957
6-(10-naphthalen-2-ylanthracen-9-yl)-21-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182812
2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 170211931
5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine
CID 170211834
6-naphthalen-2-yl-N,N-diphenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295404
4-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-6-yl]-N,N-diphenylaniline
CID 170211894
6-(10-naphthalen-2-ylanthracen-9-yl)-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 122426775
9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433768
6-[3-(10-naphthalen-2-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 122426855
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline
CID 169295813

Frequently Asked Questions

What is the IUPAC name of 3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran?
The IUPAC name of 3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran (CID 134487576) is 3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran is c1ccc(-c2c3ccccc3cc3c2oc2cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc23)cc1.
What is the InChIKey of 3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran?
The InChIKey is XWOQEOIOLUCUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-2-13-30(14-3-1)45-35-17-7-6-16-32(35)27-41-36-25-24-34(28-42(36)47-46(41)45)44-39-20-10-8-18-37(39)43(38-19-9-11-21-40(38)44)33-23-22-29-12-4-5-15-31(29)26-33/h1-28H.
What are the key properties of 3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran?
3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran has a molecular weight of 596.73 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 134487576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).