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

C52H31N7O — CID 166583186

IUPAC7-[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
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7nc(-c8ccccc8)oc67)c5c43)n2)cc1
InChIInChI=1S/C52H31N7O/c1-3-16-32(17-4-1)49-54-51(58-42-26-12-7-20-34(42)35-21-8-13-27-43(35)58)56-52(55-49)59-44-28-14-10-23-37(44)39-31-30-38-36-22-9-11-25-41(36)57(46(38)47(39)59)45-29-15-24-40-48(45)60-50(53-40)33-18-5-2-6-19-33/h1-31H
InChIKeyCOOYQPSXQDKESO-UHFFFAOYSA-N
MW769.87 g/mol
LogP12.64
Rot. Bonds5

About 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

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 (PubChem CID 166583186) has the molecular formula C52H31N7O and a molecular weight of 769.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID166583186
Molecular FormulaC52H31N7O
Molecular Weight769.87 g/mol
Exact Mass769.26
IUPAC Name7-[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
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7nc(-c8ccccc8)oc67)c5c43)n2)cc1
InChIInChI=1S/C52H31N7O/c1-3-16-32(17-4-1)49-54-51(58-42-26-12-7-20-34(42)35-21-8-13-27-43(35)58)56-52(55-49)59-44-28-14-10-23-37(44)39-31-30-38-36-22-9-11-25-41(36)57(46(38)47(39)59)45-29-15-24-40-48(45)60-50(53-40)33-18-5-2-6-19-33/h1-31H
InChIKeyCOOYQPSXQDKESO-UHFFFAOYSA-N
XLogP12.64
TPSA79.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.87
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
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-[4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole
CID 166583193
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
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
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
2-phenyl-7-[4-phenyl-6-(11-quinolin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166583361
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7nc(-c8ccccc8)oc67)c5c43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is COOYQPSXQDKESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N7O/c1-3-16-32(17-4-1)49-54-51(58-42-26-12-7-20-34(42)35-21-8-13-27-43(35)58)56-52(55-49)59-44-28-14-10-23-37(44)39-31-30-38-36-22-9-11-25-41(36)57(46(38)47(39)59)45-29-15-24-40-48(45)60-50(53-40)33-18-5-2-6-19-33/h1-31H.
What are the key properties of 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?
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 has a molecular weight of 769.87 g/mol, XLogP of 12.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166583186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).