2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran

C52H32O — CID 168795775

IUPAC2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccc(-c4ccc5c(c4)oc4ccc(-c6cccc7ccccc67)cc45)cc23)cc1
InChIInChI=1S/C52H32O/c1-2-14-35(15-3-1)51-44-20-8-9-21-45(44)52(43-23-11-17-34-13-5-7-19-40(34)43)46-28-25-36(30-48(46)51)37-24-27-42-47-31-38(26-29-49(47)53-50(42)32-37)41-22-10-16-33-12-4-6-18-39(33)41/h1-32H
InChIKeyFDHZYFRAGYJNST-UHFFFAOYSA-N
MW672.83 g/mol
LogP14.87
Rot. Bonds4

About 2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran

2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran (PubChem CID 168795775) has the molecular formula C52H32O and a molecular weight of 672.83 g/mol. Its IUPAC name is 2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran.

Molecular Properties

Compound Name2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
PubChem CID168795775
Molecular FormulaC52H32O
Molecular Weight672.83 g/mol
Exact Mass672.25
IUPAC Name2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccc(-c4ccc5c(c4)oc4ccc(-c6cccc7ccccc67)cc45)cc23)cc1
InChIInChI=1S/C52H32O/c1-2-14-35(15-3-1)51-44-20-8-9-21-45(44)52(43-23-11-17-34-13-5-7-19-40(34)43)46-28-25-36(30-48(46)51)37-24-27-42-47-31-38(26-29-49(47)53-50(42)32-37)41-22-10-16-33-12-4-6-18-39(33)41/h1-32H
InChIKeyFDHZYFRAGYJNST-UHFFFAOYSA-N
XLogP14.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 514.87
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

2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842
2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran
CID 58322852
2-[2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;3-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 163870537
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
2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 161333068
2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran
CID 172546696
5-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 163772401
2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 159962992
9-(3-naphthalen-1-ylphenyl)-10-(7-phenylnaphthalen-1-yl)anthracene;2-[2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 165000959

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran?
The IUPAC name of 2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran (CID 168795775) is 2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran.
What is the SMILES notation for 2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran?
The canonical SMILES for 2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran is c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccc(-c4ccc5c(c4)oc4ccc(-c6cccc7ccccc67)cc45)cc23)cc1.
What is the InChIKey of 2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran?
The InChIKey is FDHZYFRAGYJNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O/c1-2-14-35(15-3-1)51-44-20-8-9-21-45(44)52(43-23-11-17-34-13-5-7-19-40(34)43)46-28-25-36(30-48(46)51)37-24-27-42-47-31-38(26-29-49(47)53-50(42)32-37)41-22-10-16-33-12-4-6-18-39(33)41/h1-32H.
What are the key properties of 2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran?
2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran has a molecular weight of 672.83 g/mol, XLogP of 14.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran is sourced from PubChem (CID 168795775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).