2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol

C47H32N4O — CID 118614890

IUPAC2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol
SMILESCc1ccccc1C1(c2ccccc2O)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C47H32N4O/c1-30-16-8-11-23-36(30)47(38-25-13-15-27-41(38)52)37-24-12-9-22-35(37)42-39(47)29-28-34-33-21-10-14-26-40(33)51(43(34)42)46-49-44(31-17-4-2-5-18-31)48-45(50-46)32-19-6-3-7-20-32/h2-29,52H,1H3
InChIKeyMNQYPSBIEKZUOV-UHFFFAOYSA-N
MW668.80 g/mol
LogP10.68
Rot. Bonds5

About 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol

2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol (PubChem CID 118614890) has the molecular formula C47H32N4O and a molecular weight of 668.80 g/mol. Its IUPAC name is 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol.

Molecular Properties

Compound Name2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol
PubChem CID118614890
Molecular FormulaC47H32N4O
Molecular Weight668.80 g/mol
Exact Mass668.26
IUPAC Name2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol
SMILESCc1ccccc1C1(c2ccccc2O)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C47H32N4O/c1-30-16-8-11-23-36(30)47(38-25-13-15-27-41(38)52)37-24-12-9-22-35(37)42-39(47)29-28-34-33-21-10-14-26-40(33)51(43(34)42)46-49-44(31-17-4-2-5-18-31)48-45(50-46)32-19-6-3-7-20-32/h2-29,52H,1H3
InChIKeyMNQYPSBIEKZUOV-UHFFFAOYSA-N
XLogP10.68
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 510.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol?
The IUPAC name of 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol (CID 118614890) is 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol.
What is the SMILES notation for 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol?
The canonical SMILES for 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol is Cc1ccccc1C1(c2ccccc2O)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21.
What is the InChIKey of 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol?
The InChIKey is MNQYPSBIEKZUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4O/c1-30-16-8-11-23-36(30)47(38-25-13-15-27-41(38)52)37-24-12-9-22-35(37)42-39(47)29-28-34-33-21-10-14-26-40(33)51(43(34)42)46-49-44(31-17-4-2-5-18-31)48-45(50-46)32-19-6-3-7-20-32/h2-29,52H,1H3.
What are the key properties of 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol?
2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol has a molecular weight of 668.80 g/mol, XLogP of 10.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(2-methylphenyl)indeno[1,2-a]carbazol-7-yl]phenol is sourced from PubChem (CID 118614890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).