3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran

C60H36O — CID 155454054

IUPAC3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)c3ccccc23)c(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C60H36O/c1-8-23-50(39(15-1)37-29-31-47-44-19-4-3-17-42(44)43-18-5-7-21-46(43)56(47)35-37)59-51-24-9-11-26-53(51)60(54-27-12-10-25-52(54)59)55-34-33-40(41-16-2-6-20-45(41)55)38-30-32-49-48-22-13-14-28-57(48)61-58(49)36-38/h1-36H
InChIKeyZQWZKMMZJQOWEN-UHFFFAOYSA-N
MW772.95 g/mol
LogP17.17
Rot. Bonds4

About 3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran

3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran (PubChem CID 155454054) has the molecular formula C60H36O and a molecular weight of 772.95 g/mol. Its IUPAC name is 3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran.

Molecular Properties

Compound Name3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
PubChem CID155454054
Molecular FormulaC60H36O
Molecular Weight772.95 g/mol
Exact Mass772.28
IUPAC Name3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)c3ccccc23)c(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C60H36O/c1-8-23-50(39(15-1)37-29-31-47-44-19-4-3-17-42(44)43-18-5-7-21-46(43)56(47)35-37)59-51-24-9-11-26-53(51)60(54-27-12-10-25-52(54)59)55-34-33-40(41-16-2-6-20-45(41)55)38-30-32-49-48-22-13-14-28-57(48)61-58(49)36-38/h1-36H
InChIKeyZQWZKMMZJQOWEN-UHFFFAOYSA-N
XLogP17.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran
CID 176862825
7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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 122415800
7-[10-(2-phenylphenyl)anthracen-9-yl]-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 170654309
2-[2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536204
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 122415794
3-[10-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)anthracen-9-yl]dibenzofuran
CID 155475477
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
3-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 122426333
2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536112
3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155334112

Frequently Asked Questions

What is the IUPAC name of 3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?
The IUPAC name of 3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran (CID 155454054) is 3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran.
What is the SMILES notation for 3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?
The canonical SMILES for 3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)c3ccccc23)c(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.
What is the InChIKey of 3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?
The InChIKey is ZQWZKMMZJQOWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36O/c1-8-23-50(39(15-1)37-29-31-47-44-19-4-3-17-42(44)43-18-5-7-21-46(43)56(47)35-37)59-51-24-9-11-26-53(51)60(54-27-12-10-25-52(54)59)55-34-33-40(41-16-2-6-20-45(41)55)38-30-32-49-48-22-13-14-28-57(48)61-58(49)36-38/h1-36H.
What are the key properties of 3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran?
3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran has a molecular weight of 772.95 g/mol, XLogP of 17.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran is sourced from PubChem (CID 155454054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).