10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene

C56H38 — CID 158775049

IUPAC10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(C4c5cc(-c6ccccc6)ccc5-c5cc6c(cc54)C(c4ccccc4)c4ccccc4-6)c3)c2)cc1
InChIInChI=1S/C56H38/c1-5-16-37(17-6-1)42-28-29-48-51-35-50-47-26-13-14-27-49(47)55(40-22-11-4-12-23-40)53(50)36-54(51)56(52(48)34-42)43-25-15-24-41(30-43)46-32-44(38-18-7-2-8-19-38)31-45(33-46)39-20-9-3-10-21-39/h1-36,55-56H
InChIKeyKBLMTBMJCFMBGO-UHFFFAOYSA-N
MW710.92 g/mol
LogP14.68
Rot. Bonds6

About 10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene

10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene (PubChem CID 158775049) has the molecular formula C56H38 and a molecular weight of 710.92 g/mol. Its IUPAC name is 10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene.

Molecular Properties

Compound Name10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
PubChem CID158775049
Molecular FormulaC56H38
Molecular Weight710.92 g/mol
Exact Mass710.30
IUPAC Name10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(C4c5cc(-c6ccccc6)ccc5-c5cc6c(cc54)C(c4ccccc4)c4ccccc4-6)c3)c2)cc1
InChIInChI=1S/C56H38/c1-5-16-37(17-6-1)42-28-29-48-51-35-50-47-26-13-14-27-49(47)55(40-22-11-4-12-23-40)53(50)36-54(51)56(52(48)34-42)43-25-15-24-41(30-43)46-32-44(38-18-7-2-8-19-38)31-45(33-46)39-20-9-3-10-21-39/h1-36,55-56H
InChIKeyKBLMTBMJCFMBGO-UHFFFAOYSA-N
XLogP14.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.92
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene?
The IUPAC name of 10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene (CID 158775049) is 10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene.
What is the SMILES notation for 10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene?
The canonical SMILES for 10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(C4c5cc(-c6ccccc6)ccc5-c5cc6c(cc54)C(c4ccccc4)c4ccccc4-6)c3)c2)cc1.
What is the InChIKey of 10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene?
The InChIKey is KBLMTBMJCFMBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38/c1-5-16-37(17-6-1)42-28-29-48-51-35-50-47-26-13-14-27-49(47)55(40-22-11-4-12-23-40)53(50)36-54(51)56(52(48)34-42)43-25-15-24-41(30-43)46-32-44(38-18-7-2-8-19-38)31-45(33-46)39-20-9-3-10-21-39/h1-36,55-56H.
What are the key properties of 10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene?
10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene has a molecular weight of 710.92 g/mol, XLogP of 14.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene is sourced from PubChem (CID 158775049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).