1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran

C59H44O — CID 168808660

IUPAC1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran
SMILESc1ccc2c3c(ccc2c1)C(C1C2CC4CC(C2)CC1C4)c1ccc(-c2c4ccccc4c(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc24)cc1-3
InChIInChI=1S/C59H44O/c1-2-11-42-36(10-1)24-27-50-57(42)51-33-39(25-26-48(51)59(50)54-40-29-34-28-35(31-40)32-41(54)30-34)56-46-14-5-3-12-44(46)55(45-13-4-6-15-47(45)56)38-22-20-37(21-23-38)43-17-9-19-53-58(43)49-16-7-8-18-52(49)60-53/h1-27,33-35,40-41,54,59H,28-32H2
InChIKeyXQQBVFGTUHWBIR-UHFFFAOYSA-N
MW769.00 g/mol
LogP16.23
Rot. Bonds4

About 1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran

1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran (PubChem CID 168808660) has the molecular formula C59H44O and a molecular weight of 769.00 g/mol. Its IUPAC name is 1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran
PubChem CID168808660
Molecular FormulaC59H44O
Molecular Weight769.00 g/mol
Exact Mass768.34
IUPAC Name1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran
SMILESc1ccc2c3c(ccc2c1)C(C1C2CC4CC(C2)CC1C4)c1ccc(-c2c4ccccc4c(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc24)cc1-3
InChIInChI=1S/C59H44O/c1-2-11-42-36(10-1)24-27-50-57(42)51-33-39(25-26-48(51)59(50)54-40-29-34-28-35(31-40)32-41(54)30-34)56-46-14-5-3-12-44(46)55(45-13-4-6-15-47(45)56)38-22-20-37(21-23-38)43-17-9-19-53-58(43)49-16-7-8-18-52(49)60-53/h1-27,33-35,40-41,54,59H,28-32H2
InChIKeyXQQBVFGTUHWBIR-UHFFFAOYSA-N
XLogP16.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 516.23
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

7-(2-adamantyl)-10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-7H-benzo[c]fluorene
CID 168808720
1-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]dibenzothiophene
CID 168808702
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 176862831
1-[4-[3-[10-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-10-naphthalen-2-ylanthracen-9-yl]phenyl]dibenzofuran
CID 166671529
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran
CID 167009001
1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170448028
1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 159932863
1-[4-[10-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaen-6-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 177265153
4-[4-[10-(4-dibenzofuran-1-ylphenyl)anthracen-9-yl]-3-phenylphenyl]-1-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 148826059

Frequently Asked Questions

What is the IUPAC name of 1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran?
The IUPAC name of 1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran (CID 168808660) is 1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran.
What is the SMILES notation for 1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran?
The canonical SMILES for 1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran is c1ccc2c3c(ccc2c1)C(C1C2CC4CC(C2)CC1C4)c1ccc(-c2c4ccccc4c(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc24)cc1-3.
What is the InChIKey of 1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran?
The InChIKey is XQQBVFGTUHWBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44O/c1-2-11-42-36(10-1)24-27-50-57(42)51-33-39(25-26-48(51)59(50)54-40-29-34-28-35(31-40)32-41(54)30-34)56-46-14-5-3-12-44(46)55(45-13-4-6-15-47(45)56)38-22-20-37(21-23-38)43-17-9-19-53-58(43)49-16-7-8-18-52(49)60-53/h1-27,33-35,40-41,54,59H,28-32H2.
What are the key properties of 1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran?
1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran has a molecular weight of 769.00 g/mol, XLogP of 16.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[10-[7-(2-adamantyl)-7H-benzo[c]fluoren-10-yl]anthracen-9-yl]phenyl]dibenzofuran is sourced from PubChem (CID 168808660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).