1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran

C62H36O — CID 129100703

IUPAC1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran
SMILESc1ccc2c(-c3ccc(-c4cccc5ccccc45)c4c3-c3cccc5c(-c6cccc7oc8ccc(-c9cc%10ccccc%10c%10ccccc9%10)cc8c67)ccc-4c35)cccc2c1
InChIInChI=1S/C62H36O/c1-4-18-41-37(13-1)16-9-23-45(41)51-31-32-52(46-24-10-17-38-14-2-5-19-42(38)46)62-54-33-30-48(49-25-11-27-53(59(49)54)61(51)62)50-26-12-28-58-60(50)56-36-40(29-34-57(56)63-58)55-35-39-15-3-6-20-43(39)44-21-7-8-22-47(44)55/h1-36H
InChIKeyUPKRXJOJPIJVAV-UHFFFAOYSA-N
MW796.97 g/mol
LogP17.67
Rot. Bonds4

About 1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran

1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran (PubChem CID 129100703) has the molecular formula C62H36O and a molecular weight of 796.97 g/mol. Its IUPAC name is 1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran.

Molecular Properties

Compound Name1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran
PubChem CID129100703
Molecular FormulaC62H36O
Molecular Weight796.97 g/mol
Exact Mass796.28
IUPAC Name1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran
SMILESc1ccc2c(-c3ccc(-c4cccc5ccccc45)c4c3-c3cccc5c(-c6cccc7oc8ccc(-c9cc%10ccccc%10c%10ccccc9%10)cc8c67)ccc-4c35)cccc2c1
InChIInChI=1S/C62H36O/c1-4-18-41-37(13-1)16-9-23-45(41)51-31-32-52(46-24-10-17-38-14-2-5-19-42(38)46)62-54-33-30-48(49-25-11-27-53(59(49)54)61(51)62)50-26-12-28-58-60(50)56-36-40(29-34-57(56)63-58)55-35-39-15-3-6-20-43(39)44-21-7-8-22-47(44)55/h1-36H
InChIKeyUPKRXJOJPIJVAV-UHFFFAOYSA-N
XLogP17.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.97
LogP ≤ 517.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556
1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 158243132
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-9-yl-1,3,5-triazine
CID 166742425
1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran
CID 129100193
1-naphthalen-1-yl-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
CID 165169616
2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 140946390
1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran
CID 171421142
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-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134198849
1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170448028
2-[3-pyren-1-yl-2-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 169303206

Frequently Asked Questions

What is the IUPAC name of 1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran?
The IUPAC name of 1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran (CID 129100703) is 1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran.
What is the SMILES notation for 1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran?
The canonical SMILES for 1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran is c1ccc2c(-c3ccc(-c4cccc5ccccc45)c4c3-c3cccc5c(-c6cccc7oc8ccc(-c9cc%10ccccc%10c%10ccccc9%10)cc8c67)ccc-4c35)cccc2c1.
What is the InChIKey of 1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran?
The InChIKey is UPKRXJOJPIJVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36O/c1-4-18-41-37(13-1)16-9-23-45(41)51-31-32-52(46-24-10-17-38-14-2-5-19-42(38)46)62-54-33-30-48(49-25-11-27-53(59(49)54)61(51)62)50-26-12-28-58-60(50)56-36-40(29-34-57(56)63-58)55-35-39-15-3-6-20-43(39)44-21-7-8-22-47(44)55/h1-36H.
What are the key properties of 1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran?
1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran has a molecular weight of 796.97 g/mol, XLogP of 17.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-8-phenanthren-9-yldibenzofuran is sourced from PubChem (CID 129100703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).