1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran

C42H26O — CID 176862831

IUPAC1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc(-c2cccc3oc4ccccc4c23)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C42H26O/c1-2-13-28-26-29(25-24-27(28)12-1)40-33-16-5-7-18-35(33)41(36-19-8-6-17-34(36)40)31-15-4-3-14-30(31)32-21-11-23-39-42(32)37-20-9-10-22-38(37)43-39/h1-26H
InChIKeyRUTLRQDOQUMDGO-UHFFFAOYSA-N
MW546.67 g/mol
LogP12.05
Rot. Bonds3

About 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran

1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 176862831) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID176862831
Molecular FormulaC42H26O
Molecular Weight546.67 g/mol
Exact Mass546.20
IUPAC Name1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc(-c2cccc3oc4ccccc4c23)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C42H26O/c1-2-13-28-26-29(25-24-27(28)12-1)40-33-16-5-7-18-35(33)41(36-19-8-6-17-34(36)40)31-15-4-3-14-30(31)32-21-11-23-39-42(32)37-20-9-10-22-38(37)43-39/h1-26H
InChIKeyRUTLRQDOQUMDGO-UHFFFAOYSA-N
XLogP12.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 512.05
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-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 170653754
4-(10-naphthalen-2-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167187041
4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 122415609
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 153436512
7-deuterio-1-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 171449377
2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran
CID 58323672
1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran
CID 171449387
1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779522
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122427327

Frequently Asked Questions

What is the IUPAC name of 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran (CID 176862831) is 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran is c1ccc(-c2cccc3oc4ccccc4c23)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.
What is the InChIKey of 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is RUTLRQDOQUMDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-2-13-28-26-29(25-24-27(28)12-1)40-33-16-5-7-18-35(33)41(36-19-8-6-17-34(36)40)31-15-4-3-14-30(31)32-21-11-23-39-42(32)37-20-9-10-22-38(37)43-39/h1-26H.
What are the key properties of 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran?
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran has a molecular weight of 546.67 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 176862831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).