3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran

C46H34O — CID 166930342

IUPAC3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
SMILESCCCCc1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4cccc5ccc(-c6ccccc6)cc45)c4ccccc34)cccc12
InChIInChI=1S/C46H34O/c1-2-3-13-30-24-27-34-40-22-12-23-41(46(40)47-43(34)28-30)45-37-19-9-7-17-35(37)44(36-18-8-10-20-38(36)45)39-21-11-16-32-25-26-33(29-42(32)39)31-14-5-4-6-15-31/h4-12,14-29H,2-3,13H2,1H3
InChIKeyJDPKQUJXDDRDBJ-UHFFFAOYSA-N
MW602.78 g/mol
LogP13.39
Rot. Bonds6

About 3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran

3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran (PubChem CID 166930342) has the molecular formula C46H34O and a molecular weight of 602.78 g/mol. Its IUPAC name is 3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
PubChem CID166930342
Molecular FormulaC46H34O
Molecular Weight602.78 g/mol
Exact Mass602.26
IUPAC Name3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
SMILESCCCCc1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4cccc5ccc(-c6ccccc6)cc45)c4ccccc34)cccc12
InChIInChI=1S/C46H34O/c1-2-3-13-30-24-27-34-40-22-12-23-41(46(40)47-43(34)28-30)45-37-19-9-7-17-35(37)44(36-18-8-10-20-38(36)45)39-21-11-16-32-25-26-33(29-42(32)39)31-14-5-4-6-15-31/h4-12,14-29H,2-3,13H2,1H3
InChIKeyJDPKQUJXDDRDBJ-UHFFFAOYSA-N
XLogP13.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 513.39
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

8-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]-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 174289652
1-[10-[7-[3-(4-butylphenyl)phenyl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 166990982
4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 164758444
ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 143986146
4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
2-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene
CID 166930500
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 158958080
6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 146588752
deuteriomethane;4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-3-phenyldibenzofuran;2-phenyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-6-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 162019105
6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 163929828
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;2-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 158528042
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 169302137

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran (CID 166930342) is 3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran is CCCCc1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4cccc5ccc(-c6ccccc6)cc45)c4ccccc34)cccc12.
What is the InChIKey of 3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is JDPKQUJXDDRDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34O/c1-2-3-13-30-24-27-34-40-22-12-23-41(46(40)47-43(34)28-30)45-37-19-9-7-17-35(37)44(36-18-8-10-20-38(36)45)39-21-11-16-32-25-26-33(29-42(32)39)31-14-5-4-6-15-31/h4-12,14-29H,2-3,13H2,1H3.
What are the key properties of 3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?
3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 602.78 g/mol, XLogP of 13.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 166930342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).