6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene

C83H60O3 — CID 138498468

IUPAC6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene
SMILESCC(c1ccc2c(c1)C(c1ccccc1)=CC(c1ccccc1)(c1ccccc1)O2)(c1ccc2c(c1)C(c1ccccc1)=CC(c1ccccc1)(c1ccccc1)O2)c1ccc2c(c1)C(c1ccccc1)=CC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C83H60O3/c1-80(68-47-50-77-71(53-68)74(59-29-11-2-12-30-59)56-81(84-77,62-35-17-5-18-36-62)63-37-19-6-20-38-63,69-48-51-78-72(54-69)75(60-31-13-3-14-32-60)57-82(85-78,64-39-21-7-22-40-64)65-41-23-8-24-42-65)70-49-52-79-73(55-70)76(61-33-15-4-16-34-61)58-83(86-79,66-43-25-9-26-44-66)67-45-27-10-28-46-67/h2-58H,1H3
InChIKeyAZVUYRKFNSRQJG-UHFFFAOYSA-N
MW1105.39 g/mol
LogP19.34
Rot. Bonds12

About 6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene

6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene (PubChem CID 138498468) has the molecular formula C83H60O3 and a molecular weight of 1105.39 g/mol. Its IUPAC name is 6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene.

Molecular Properties

Compound Name6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene
PubChem CID138498468
Molecular FormulaC83H60O3
Molecular Weight1105.39 g/mol
Exact Mass1104.45
IUPAC Name6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene
SMILESCC(c1ccc2c(c1)C(c1ccccc1)=CC(c1ccccc1)(c1ccccc1)O2)(c1ccc2c(c1)C(c1ccccc1)=CC(c1ccccc1)(c1ccccc1)O2)c1ccc2c(c1)C(c1ccccc1)=CC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C83H60O3/c1-80(68-47-50-77-71(53-68)74(59-29-11-2-12-30-59)56-81(84-77,62-35-17-5-18-36-62)63-37-19-6-20-38-63,69-48-51-78-72(54-69)75(60-31-13-3-14-32-60)57-82(85-78,64-39-21-7-22-40-64)65-41-23-8-24-42-65)70-49-52-79-73(55-70)76(61-33-15-4-16-34-61)58-83(86-79,66-43-25-9-26-44-66)67-45-27-10-28-46-67/h2-58H,1H3
InChIKeyAZVUYRKFNSRQJG-UHFFFAOYSA-N
XLogP19.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.39
LogP ≤ 519.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene?
The IUPAC name of 6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene (CID 138498468) is 6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene.
What is the SMILES notation for 6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene?
The canonical SMILES for 6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene is CC(c1ccc2c(c1)C(c1ccccc1)=CC(c1ccccc1)(c1ccccc1)O2)(c1ccc2c(c1)C(c1ccccc1)=CC(c1ccccc1)(c1ccccc1)O2)c1ccc2c(c1)C(c1ccccc1)=CC(c1ccccc1)(c1ccccc1)O2.
What is the InChIKey of 6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene?
The InChIKey is AZVUYRKFNSRQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H60O3/c1-80(68-47-50-77-71(53-68)74(59-29-11-2-12-30-59)56-81(84-77,62-35-17-5-18-36-62)63-37-19-6-20-38-63,69-48-51-78-72(54-69)75(60-31-13-3-14-32-60)57-82(85-78,64-39-21-7-22-40-64)65-41-23-8-24-42-65)70-49-52-79-73(55-70)76(61-33-15-4-16-34-61)58-83(86-79,66-43-25-9-26-44-66)67-45-27-10-28-46-67/h2-58H,1H3.
What are the key properties of 6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene?
6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene has a molecular weight of 1105.39 g/mol, XLogP of 19.34, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene is sourced from PubChem (CID 138498468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).