2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran

C44H28O — CID 121336223

IUPAC2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran
SMILESc1ccc(-c2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)oc3ccccc23)cc1
InChIInChI=1S/C44H28O/c1-2-14-30(15-3-1)42-39-22-10-11-24-40(39)45-44(42)32-27-25-31(26-28-32)41-35-18-6-8-20-37(35)43(38-21-9-7-19-36(38)41)34-23-12-16-29-13-4-5-17-33(29)34/h1-28H
InChIKeyPNIVWUYHFXEAPZ-UHFFFAOYSA-N
MW572.71 g/mol
LogP12.56
Rot. Bonds4

About 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran

2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran (PubChem CID 121336223) has the molecular formula C44H28O and a molecular weight of 572.71 g/mol. Its IUPAC name is 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran.

Molecular Properties

Compound Name2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran
PubChem CID121336223
Molecular FormulaC44H28O
Molecular Weight572.71 g/mol
Exact Mass572.21
IUPAC Name2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran
SMILESc1ccc(-c2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)oc3ccccc23)cc1
InChIInChI=1S/C44H28O/c1-2-14-30(15-3-1)42-39-22-10-11-24-40(39)45-44(42)32-27-25-31(26-28-32)41-35-18-6-8-20-37(35)43(38-21-9-7-19-36(38)41)34-23-12-16-29-13-4-5-17-33(29)34/h1-28H
InChIKeyPNIVWUYHFXEAPZ-UHFFFAOYSA-N
XLogP12.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 512.56
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

5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran
CID 58340453
1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran
CID 165169897
5-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,3-diphenyl-1-benzofuran;5-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2,3-diphenyl-1-benzofuran;6-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,3-diphenyl-1-benzofuran;6-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-2,3-diphenyl-1-benzofuran
CID 158612945
6-(10-naphthalen-1-ylanthracen-9-yl)-7-phenyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
CID 177264874
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
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-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122426272
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran?
The IUPAC name of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran (CID 121336223) is 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran.
What is the SMILES notation for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran?
The canonical SMILES for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran is c1ccc(-c2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)oc3ccccc23)cc1.
What is the InChIKey of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran?
The InChIKey is PNIVWUYHFXEAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O/c1-2-14-30(15-3-1)42-39-22-10-11-24-40(39)45-44(42)32-27-25-31(26-28-32)41-35-18-6-8-20-37(35)43(38-21-9-7-19-36(38)41)34-23-12-16-29-13-4-5-17-33(29)34/h1-28H.
What are the key properties of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran?
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran has a molecular weight of 572.71 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran is sourced from PubChem (CID 121336223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).