4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran

C42H26O — CID 138749852

IUPAC4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-14-28(15-3-1)39-31-18-6-8-20-33(31)40(34-21-9-7-19-32(34)39)37-26-25-35(30-23-12-16-27-13-4-5-17-29(27)30)42-41(37)36-22-10-11-24-38(36)43-42/h1-26H
InChIKeyGSDMCWAZADTTNP-UHFFFAOYSA-N
MW546.67 g/mol
LogP12.05
Rot. Bonds3

About 4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran

4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 138749852) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
PubChem CID138749852
Molecular FormulaC42H26O
Molecular Weight546.67 g/mol
Exact Mass546.20
IUPAC Name4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-14-28(15-3-1)39-31-18-6-8-20-33(31)40(34-21-9-7-19-32(34)39)37-26-25-35(30-23-12-16-27-13-4-5-17-29(27)30)42-41(37)36-22-10-11-24-38(36)43-42/h1-26H
InChIKeyGSDMCWAZADTTNP-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

4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155335016
1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran
CID 168795933
4-[4-[10-(4-dibenzofuran-1-ylphenyl)anthracen-9-yl]-3-phenylphenyl]-1-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 148826059
7-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 130185376
4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 154970869
2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742174
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774
4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]-1-[4-[3-phenyl-4-[10-(1-phenyldibenzofuran-4-yl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 155454220
11-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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 122426995
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 122415610
2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
CID 162712152
1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran
CID 165169897

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran (CID 138749852) is 4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran is c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)c3ccccc23)cc1.
What is the InChIKey of 4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran?
The InChIKey is GSDMCWAZADTTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-2-14-28(15-3-1)39-31-18-6-8-20-33(31)40(34-21-9-7-19-32(34)39)37-26-25-35(30-23-12-16-27-13-4-5-17-29(27)30)42-41(37)36-22-10-11-24-38(36)43-42/h1-26H.
What are the key properties of 4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran?
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)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 4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 138749852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).