6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile

C63H46N4O2 — CID 122609903

IUPAC6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile
SMILESCC1(C)CC(C)(C)c2c(N3c4ccc(-c5ccccc5)cc4Oc4cc(-c5ccccc5)ccc43)c(N3c4ccc(-c5ccccc5)cc4Oc4cc(-c5ccccc5)ccc43)c(C#N)c(C#N)c21
InChIInChI=1S/C63H46N4O2/c1-62(2)39-63(3,4)59-58(62)48(37-64)49(38-65)60(66-50-29-25-44(40-17-9-5-10-18-40)33-54(50)68-55-34-45(26-30-51(55)66)41-19-11-6-12-20-41)61(59)67-52-31-27-46(42-21-13-7-14-22-42)35-56(52)69-57-36-47(28-32-53(57)67)43-23-15-8-16-24-43/h5-36H,39H2,1-4H3
InChIKeyXTHPZKDPSXJYOB-UHFFFAOYSA-N
MW891.09 g/mol
LogP17.21
Rot. Bonds6

About 6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile

6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile (PubChem CID 122609903) has the molecular formula C63H46N4O2 and a molecular weight of 891.09 g/mol. Its IUPAC name is 6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile.

Molecular Properties

Compound Name6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile
PubChem CID122609903
Molecular FormulaC63H46N4O2
Molecular Weight891.09 g/mol
Exact Mass890.36
IUPAC Name6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile
SMILESCC1(C)CC(C)(C)c2c(N3c4ccc(-c5ccccc5)cc4Oc4cc(-c5ccccc5)ccc43)c(N3c4ccc(-c5ccccc5)cc4Oc4cc(-c5ccccc5)ccc43)c(C#N)c(C#N)c21
InChIInChI=1S/C63H46N4O2/c1-62(2)39-63(3,4)59-58(62)48(37-64)49(38-65)60(66-50-29-25-44(40-17-9-5-10-18-40)33-54(50)68-55-34-45(26-30-51(55)66)41-19-11-6-12-20-41)61(59)67-52-31-27-46(42-21-13-7-14-22-42)35-56(52)69-57-36-47(28-32-53(57)67)43-23-15-8-16-24-43/h5-36H,39H2,1-4H3
InChIKeyXTHPZKDPSXJYOB-UHFFFAOYSA-N
XLogP17.21
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile?
The IUPAC name of 6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile (CID 122609903) is 6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile.
What is the SMILES notation for 6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile?
The canonical SMILES for 6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile is CC1(C)CC(C)(C)c2c(N3c4ccc(-c5ccccc5)cc4Oc4cc(-c5ccccc5)ccc43)c(N3c4ccc(-c5ccccc5)cc4Oc4cc(-c5ccccc5)ccc43)c(C#N)c(C#N)c21.
What is the InChIKey of 6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile?
The InChIKey is XTHPZKDPSXJYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N4O2/c1-62(2)39-63(3,4)59-58(62)48(37-64)49(38-65)60(66-50-29-25-44(40-17-9-5-10-18-40)33-54(50)68-55-34-45(26-30-51(55)66)41-19-11-6-12-20-41)61(59)67-52-31-27-46(42-21-13-7-14-22-42)35-56(52)69-57-36-47(28-32-53(57)67)43-23-15-8-16-24-43/h5-36H,39H2,1-4H3.
What are the key properties of 6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile?
6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile has a molecular weight of 891.09 g/mol, XLogP of 17.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(3,7-diphenylphenoxazin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4,5-dicarbonitrile is sourced from PubChem (CID 122609903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).