8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol

C52H32O2 — CID 143904550

IUPAC8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol
SMILESOc1cc2oc3ccc(-c4ccc5ccccc5c4)cc3c2cc1-c1cccc(-c2ccc3ccc(-c4cc5ccccc5c5ccccc45)cc3c2)c1
InChIInChI=1S/C52H32O2/c53-50-31-52-49(48-28-38(22-23-51(48)54-52)36-19-16-32-8-1-2-9-34(32)24-36)30-47(50)39-12-7-11-35(25-39)37-20-17-33-18-21-41(27-42(33)26-37)46-29-40-10-3-4-13-43(40)44-14-5-6-15-45(44)46/h1-31,53H
InChIKeyQRJIOCVGAIRBAZ-UHFFFAOYSA-N
MW688.83 g/mol
LogP14.57
Rot. Bonds4

About 8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol

8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol (PubChem CID 143904550) has the molecular formula C52H32O2 and a molecular weight of 688.83 g/mol. Its IUPAC name is 8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol.

Molecular Properties

Compound Name8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol
PubChem CID143904550
Molecular FormulaC52H32O2
Molecular Weight688.83 g/mol
Exact Mass688.24
IUPAC Name8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol
SMILESOc1cc2oc3ccc(-c4ccc5ccccc5c4)cc3c2cc1-c1cccc(-c2ccc3ccc(-c4cc5ccccc5c5ccccc45)cc3c2)c1
InChIInChI=1S/C52H32O2/c53-50-31-52-49(48-28-38(22-23-51(48)54-52)36-19-16-32-8-1-2-9-34(32)24-36)30-47(50)39-12-7-11-35(25-39)37-20-17-33-18-21-41(27-42(33)26-37)46-29-40-10-3-4-13-43(40)44-14-5-6-15-45(44)46/h1-31,53H
InChIKeyQRJIOCVGAIRBAZ-UHFFFAOYSA-N
XLogP14.57
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 514.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran
CID 58569217
2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran
CID 58569083
6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-(6-naphthalen-2-ylnaphthalen-2-yl)-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(6-naphthalen-2-ylnaphthalen-2-yl)-18-(4-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(7-phenanthren-9-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-naphthalen-2-yl-18-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 157450502
2-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-(3-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 159104776
6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-(6-naphthalen-2-ylnaphthalen-2-yl)-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(6-naphthalen-2-ylnaphthalen-2-yl)-18-(4-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 161308564
3-phenanthren-9-yl-7-(7-phenanthren-9-ylnaphthalen-2-yl)dibenzofuran
CID 58569881
2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-8-phenanthren-9-yldibenzofuran
CID 58569484
7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 153303292
2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran
CID 162138593
6,18-bis(7-naphthalen-2-ylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(3-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-bis(4-naphthalen-2-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(chrysen-5-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6,18-di(fluoranthen-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;6-naphthalen-2-yl-18-(3-phenanthren-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;6-(3-phenanthren-9-ylphenyl)-18-(6-phenylnaphthalen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 158602274
2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran
CID 159150176
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran
CID 58194464

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol?
The IUPAC name of 8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol (CID 143904550) is 8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol.
What is the SMILES notation for 8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol?
The canonical SMILES for 8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol is Oc1cc2oc3ccc(-c4ccc5ccccc5c4)cc3c2cc1-c1cccc(-c2ccc3ccc(-c4cc5ccccc5c5ccccc45)cc3c2)c1.
What is the InChIKey of 8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol?
The InChIKey is QRJIOCVGAIRBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O2/c53-50-31-52-49(48-28-38(22-23-51(48)54-52)36-19-16-32-8-1-2-9-34(32)24-36)30-47(50)39-12-7-11-35(25-39)37-20-17-33-18-21-41(27-42(33)26-37)46-29-40-10-3-4-13-43(40)44-14-5-6-15-45(44)46/h1-31,53H.
What are the key properties of 8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol?
8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol has a molecular weight of 688.83 g/mol, XLogP of 14.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-2-yl-2-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-ol is sourced from PubChem (CID 143904550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).