2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole

C49H33N5O — CID 162481682

IUPAC2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc5ccccc5o4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C49H33N5O/c1-49(2)37-21-11-9-20-35(37)43-38(49)27-26-34-33-19-10-13-23-40(33)54(44(34)43)41-28-25-32(48-50-39-22-12-14-24-42(39)55-48)29-36(41)47-52-45(30-15-5-3-6-16-30)51-46(53-47)31-17-7-4-8-18-31/h3-29H,1-2H3
InChIKeySIAXGJDNUAXIQI-UHFFFAOYSA-N
MW707.84 g/mol
LogP12.08
Rot. Bonds5

About 2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole

2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole (PubChem CID 162481682) has the molecular formula C49H33N5O and a molecular weight of 707.84 g/mol. Its IUPAC name is 2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole
PubChem CID162481682
Molecular FormulaC49H33N5O
Molecular Weight707.84 g/mol
Exact Mass707.27
IUPAC Name2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc5ccccc5o4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C49H33N5O/c1-49(2)37-21-11-9-20-35(37)43-38(49)27-26-34-33-19-10-13-23-40(33)54(44(34)43)41-28-25-32(48-50-39-22-12-14-24-42(39)55-48)29-36(41)47-52-45(30-15-5-3-6-16-30)51-46(53-47)31-17-7-4-8-18-31/h3-29H,1-2H3
InChIKeySIAXGJDNUAXIQI-UHFFFAOYSA-N
XLogP12.08
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.84
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole with MolForge

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

Launch Full Analysis

Related Compounds

12-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 149347203
2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 149472861
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole
CID 163761982
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
5-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756213
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162481673
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole
CID 166583062
12-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014822
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
2-[2-[12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583272
2-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole
CID 162481679
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole (CID 162481682) is 2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc5ccccc5o4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21.
What is the InChIKey of 2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole?
The InChIKey is SIAXGJDNUAXIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5O/c1-49(2)37-21-11-9-20-35(37)43-38(49)27-26-34-33-19-10-13-23-40(33)54(44(34)43)41-28-25-32(48-50-39-22-12-14-24-42(39)55-48)29-36(41)47-52-45(30-15-5-3-6-16-30)51-46(53-47)31-17-7-4-8-18-31/h3-29H,1-2H3.
What are the key properties of 2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole?
2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole has a molecular weight of 707.84 g/mol, XLogP of 12.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 162481682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).