2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole

C54H39NO — CID 118081231

IUPAC2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole
SMILESCC1(C)c2cc(-c3c(-c4ccccc4)c4ccccc4n3-c3ccccc3)ccc2-c2c1ccc1c2Oc2ccccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H39NO/c1-53(2)44-33-34-45-52(56-48-30-18-16-28-43(48)54(45,38-21-9-4-10-22-38)39-23-11-5-12-24-39)50(44)41-32-31-37(35-46(41)53)51-49(36-19-7-3-8-20-36)42-27-15-17-29-47(42)55(51)40-25-13-6-14-26-40/h3-35H,1-2H3
InChIKeyHLNRFNJVCZRATC-UHFFFAOYSA-N
MW717.91 g/mol
LogP13.76
Rot. Bonds5

About 2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole

2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole (PubChem CID 118081231) has the molecular formula C54H39NO and a molecular weight of 717.91 g/mol. Its IUPAC name is 2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole.

Molecular Properties

Compound Name2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole
PubChem CID118081231
Molecular FormulaC54H39NO
Molecular Weight717.91 g/mol
Exact Mass717.30
IUPAC Name2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole
SMILESCC1(C)c2cc(-c3c(-c4ccccc4)c4ccccc4n3-c3ccccc3)ccc2-c2c1ccc1c2Oc2ccccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H39NO/c1-53(2)44-33-34-45-52(56-48-30-18-16-28-43(48)54(45,38-21-9-4-10-22-38)39-23-11-5-12-24-39)50(44)41-32-31-37(35-46(41)53)51-49(36-19-7-3-8-20-36)42-27-15-17-29-47(42)55(51)40-25-13-6-14-26-40/h3-35H,1-2H3
InChIKeyHLNRFNJVCZRATC-UHFFFAOYSA-N
XLogP13.76
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.91
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole?
The IUPAC name of 2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole (CID 118081231) is 2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole.
What is the SMILES notation for 2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole?
The canonical SMILES for 2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole is CC1(C)c2cc(-c3c(-c4ccccc4)c4ccccc4n3-c3ccccc3)ccc2-c2c1ccc1c2Oc2ccccc2C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole?
The InChIKey is HLNRFNJVCZRATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NO/c1-53(2)44-33-34-45-52(56-48-30-18-16-28-43(48)54(45,38-21-9-4-10-22-38)39-23-11-5-12-24-39)50(44)41-32-31-37(35-46(41)53)51-49(36-19-7-3-8-20-36)42-27-15-17-29-47(42)55(51)40-25-13-6-14-26-40/h3-35H,1-2H3.
What are the key properties of 2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole?
2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole has a molecular weight of 717.91 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8-dimethyl-5,5-diphenylindeno[2,1-c]xanthen-10-yl)-1,3-diphenylindole is sourced from PubChem (CID 118081231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).