10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran

C52H30O2 — CID 122426429

IUPAC10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc(-c6cccc7c6oc6c8ccccc8ccc76)ccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C52H30O2/c1-3-14-35-31(11-1)13-9-21-40(35)50-43-18-7-5-16-41(43)49(42-17-6-8-19-44(42)50)34-25-27-39-38-26-24-33(29-47(38)53-48(39)30-34)37-20-10-22-45-46-28-23-32-12-2-4-15-36(32)51(46)54-52(37)45/h1-30H
InChIKeySGZWABVUEAUERZ-UHFFFAOYSA-N
MW686.81 g/mol
LogP15.10
Rot. Bonds3

About 10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran

10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 122426429) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
PubChem CID122426429
Molecular FormulaC52H30O2
Molecular Weight686.81 g/mol
Exact Mass686.22
IUPAC Name10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc(-c6cccc7c6oc6c8ccccc8ccc76)ccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C52H30O2/c1-3-14-35-31(11-1)13-9-21-40(35)50-43-18-7-5-16-41(43)49(42-17-6-8-19-44(42)50)34-25-27-39-38-26-24-33(29-47(38)53-48(39)30-34)37-20-10-22-45-46-28-23-32-12-2-4-15-36(32)51(46)54-52(37)45/h1-30H
InChIKeySGZWABVUEAUERZ-UHFFFAOYSA-N
XLogP15.10
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.81
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487746
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
8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 90433778
7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14,17,19,21,23-undecaene
CID 130185438
9-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;9-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 159449989
9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 118402665
7-(10-naphthalen-1-ylanthracen-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 122425860
8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran
CID 174293136
17-(10-naphthalen-1-ylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122415718
9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174273669
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 122425870
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 158628764

Frequently Asked Questions

What is the IUPAC name of 10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran (CID 122426429) is 10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran is c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc(-c6cccc7c6oc6c8ccccc8ccc76)ccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran?
The InChIKey is SGZWABVUEAUERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30O2/c1-3-14-35-31(11-1)13-9-21-40(35)50-43-18-7-5-16-41(43)49(42-17-6-8-19-44(42)50)34-25-27-39-38-26-24-33(29-47(38)53-48(39)30-34)37-20-10-22-45-46-28-23-32-12-2-4-15-36(32)51(46)54-52(37)45/h1-30H.
What are the key properties of 10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran?
10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 686.81 g/mol, XLogP of 15.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 122426429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).