12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]

C52H32N4O — CID 129133123

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3c2ccc2c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c32)cc1
InChIInChI=1S/C52H32N4O/c1-4-16-33(17-5-1)36-28-31-46-43(32-36)52(41-25-13-15-27-45(41)57-46)40-24-12-10-23-39(40)47-42(52)30-29-38-37-22-11-14-26-44(37)56(48(38)47)51-54-49(34-18-6-2-7-19-34)53-50(55-51)35-20-8-3-9-21-35/h1-32H
InChIKeyHSKQEOGERYOZLZ-UHFFFAOYSA-N
MW728.86 g/mol
LogP12.44
Rot. Bonds4

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] (PubChem CID 129133123) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
PubChem CID129133123
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3c2ccc2c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c32)cc1
InChIInChI=1S/C52H32N4O/c1-4-16-33(17-5-1)36-28-31-46-43(32-36)52(41-25-13-15-27-45(41)57-46)40-24-12-10-23-39(40)47-42(52)30-29-38-37-22-11-14-26-44(37)56(48(38)47)51-54-49(34-18-6-2-7-19-34)53-50(55-51)35-20-8-3-9-21-35/h1-32H
InChIKeyHSKQEOGERYOZLZ-UHFFFAOYSA-N
XLogP12.44
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] (CID 129133123) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene].
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] is c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3c2ccc2c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c32)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
The InChIKey is HSKQEOGERYOZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c1-4-16-33(17-5-1)36-28-31-46-43(32-36)52(41-25-13-15-27-45(41)57-46)40-24-12-10-23-39(40)47-42(52)30-29-38-37-22-11-14-26-44(37)56(48(38)47)51-54-49(34-18-6-2-7-19-34)53-50(55-51)35-20-8-3-9-21-35/h1-32H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] has a molecular weight of 728.86 g/mol, XLogP of 12.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2'-phenylspiro[indeno[1,2-a]carbazole-7,9'-xanthene] is sourced from PubChem (CID 129133123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).