2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole

C52H32N6O — CID 166583428

IUPAC2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc8nc(-c9ccccc9)oc78)c6c54)n3)cc2)cc1
InChIInChI=1S/C52H32N6O/c1-4-15-33(16-5-1)34-27-29-36(30-28-34)50-54-49(35-17-6-2-7-18-35)55-52(56-50)58-44-25-13-11-22-39(44)41-32-31-40-38-21-10-12-24-43(38)57(46(40)47(41)58)45-26-14-23-42-48(45)59-51(53-42)37-19-8-3-9-20-37/h1-32H
InChIKeyGULMTUOQVYWPPV-UHFFFAOYSA-N
MW756.87 g/mol
LogP12.88
Rot. Bonds6

About 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole

2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole (PubChem CID 166583428) has the molecular formula C52H32N6O and a molecular weight of 756.87 g/mol. Its IUPAC name is 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole
PubChem CID166583428
Molecular FormulaC52H32N6O
Molecular Weight756.87 g/mol
Exact Mass756.26
IUPAC Name2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc8nc(-c9ccccc9)oc78)c6c54)n3)cc2)cc1
InChIInChI=1S/C52H32N6O/c1-4-15-33(16-5-1)34-27-29-36(30-28-34)50-54-49(35-17-6-2-7-18-35)55-52(56-50)58-44-25-13-11-22-39(44)41-32-31-40-38-21-10-12-24-43(38)57(46(40)47(41)58)45-26-14-23-42-48(45)59-51(53-42)37-19-8-3-9-20-37/h1-32H
InChIKeyGULMTUOQVYWPPV-UHFFFAOYSA-N
XLogP12.88
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.87
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3-benzoxazole
CID 166582829
7-[12-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-phenyl-1,3-benzoxazole
CID 166583186
7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole
CID 166583193
2-phenyl-7-[12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole
CID 166582816
7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-phenanthren-2-yl-1,3-benzoxazole
CID 166583235
7-[12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-phenyl-1,3-benzoxazole
CID 166583457
7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(9-phenylfluoren-9-yl)phenyl]-1,3-benzoxazole
CID 166583200
2-(3,5-diphenylphenyl)-7-[12-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole
CID 166583391
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
7-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole
CID 166583419
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
7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole
CID 166583018

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole?
The IUPAC name of 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole (CID 166583428) is 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc8nc(-c9ccccc9)oc78)c6c54)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole?
The InChIKey is GULMTUOQVYWPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6O/c1-4-15-33(16-5-1)34-27-29-36(30-28-34)50-54-49(35-17-6-2-7-18-35)55-52(56-50)58-44-25-13-11-22-39(44)41-32-31-40-38-21-10-12-24-43(38)57(46(40)47(41)58)45-26-14-23-42-48(45)59-51(53-42)37-19-8-3-9-20-37/h1-32H.
What are the key properties of 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole?
2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole has a molecular weight of 756.87 g/mol, XLogP of 12.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole is sourced from PubChem (CID 166583428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).