2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran

C48H30O — CID 58323116

IUPAC2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cccc(-c5ccc6oc7ccccc7c6c5)c34)cc2)cc1
InChIInChI=1S/C48H30O/c1-2-12-31(13-3-1)32-24-26-34(27-25-32)46-40-18-6-7-19-41(40)47(39-21-10-15-33-14-4-5-16-36(33)39)42-22-11-20-37(48(42)46)35-28-29-45-43(30-35)38-17-8-9-23-44(38)49-45/h1-30H
InChIKeyYDHYVTRARNOURC-UHFFFAOYSA-N
MW622.77 g/mol
LogP13.71
Rot. Bonds4

About 2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran

2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran (PubChem CID 58323116) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
PubChem CID58323116
Molecular FormulaC48H30O
Molecular Weight622.77 g/mol
Exact Mass622.23
IUPAC Name2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cccc(-c5ccc6oc7ccccc7c6c5)c34)cc2)cc1
InChIInChI=1S/C48H30O/c1-2-12-31(13-3-1)32-24-26-34(27-25-32)46-40-18-6-7-19-41(40)47(39-21-10-15-33-14-4-5-16-36(33)39)42-22-11-20-37(48(42)46)35-28-29-45-43(30-35)38-17-8-9-23-44(38)49-45/h1-30H
InChIKeyYDHYVTRARNOURC-UHFFFAOYSA-N
XLogP13.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 513.71
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-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)anthracen-1-yl]dibenzofuran;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)-1,5-diphenylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-1,5-diphenylanthracene;10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-1-phenylanthracene;10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-phenylanthracene;10-naphthalen-1-yl-9-(4-naphthalen-1-ylphenyl)-1-phenylanthracene;10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-1-phenylanthracene;10-naphthalen-1-yl-1-phenyl-9-(3-phenylphenyl)anthracene
CID 162055995
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-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;2-[10-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-(4-phenylphenyl)anthracene;1-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 165001898
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
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122426263
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran
CID 58322852
2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
CID 168795775
2-(4,5-diphenylanthracen-9-yl)dibenzofuran;10-naphthalen-1-yl-1,8-bis(4-phenylphenyl)anthracene;10-naphthalen-1-yl-1,8-diphenylanthracene;1,8,10-trinaphthalen-2-ylanthracene;1,8,10-tris(4-phenylphenyl)anthracene
CID 163912161
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167561515

Frequently Asked Questions

What is the IUPAC name of 2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran?
The IUPAC name of 2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran (CID 58323116) is 2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran.
What is the SMILES notation for 2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran?
The canonical SMILES for 2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cccc(-c5ccc6oc7ccccc7c6c5)c34)cc2)cc1.
What is the InChIKey of 2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran?
The InChIKey is YDHYVTRARNOURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O/c1-2-12-31(13-3-1)32-24-26-34(27-25-32)46-40-18-6-7-19-41(40)47(39-21-10-15-33-14-4-5-16-36(33)39)42-22-11-20-37(48(42)46)35-28-29-45-43(30-35)38-17-8-9-23-44(38)49-45/h1-30H.
What are the key properties of 2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran?
2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran has a molecular weight of 622.77 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran is sourced from PubChem (CID 58323116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).