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

C58H36N6O — CID 166583272

IUPAC2-[2-[12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7-c7nc8ccccc8o7)c6c54)n3)cc2)cc1
InChIInChI=1S/C58H36N6O/c1-3-15-37(16-4-1)39-27-31-41(32-28-39)55-60-56(42-33-29-40(30-34-42)38-17-5-2-6-18-38)62-58(61-55)64-50-24-12-8-20-44(50)46-36-35-45-43-19-7-11-23-49(43)63(53(45)54(46)64)51-25-13-9-21-47(51)57-59-48-22-10-14-26-52(48)65-57/h1-36H
InChIKeyMQISWICIWBCLII-UHFFFAOYSA-N
MW832.97 g/mol
LogP14.54
Rot. Bonds7

About 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

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 (PubChem CID 166583272) has the molecular formula C58H36N6O and a molecular weight of 832.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[2-[12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
PubChem CID166583272
Molecular FormulaC58H36N6O
Molecular Weight832.97 g/mol
Exact Mass832.30
IUPAC Name2-[2-[12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7-c7nc8ccccc8o7)c6c54)n3)cc2)cc1
InChIInChI=1S/C58H36N6O/c1-3-15-37(16-4-1)39-27-31-41(32-28-39)55-60-56(42-33-29-40(30-34-42)38-17-5-2-6-18-38)62-58(61-55)64-50-24-12-8-20-44(50)46-36-35-45-43-19-7-11-23-49(43)63(53(45)54(46)64)51-25-13-9-21-47(51)57-59-48-22-10-14-26-52(48)65-57/h1-36H
InChIKeyMQISWICIWBCLII-UHFFFAOYSA-N
XLogP14.54
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.97
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583167
2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166582968
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole
CID 156661260
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
2-[4-[12-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583478
2-[3-[12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166582879
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole
CID 156661239
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
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
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole
CID 155444593
11-[2-(3,5-diphenylphenyl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 175627738
2-[3-[12-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583306

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7-c7nc8ccccc8o7)c6c54)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is MQISWICIWBCLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6O/c1-3-15-37(16-4-1)39-27-31-41(32-28-39)55-60-56(42-33-29-40(30-34-42)38-17-5-2-6-18-38)62-58(61-55)64-50-24-12-8-20-44(50)46-36-35-45-43-19-7-11-23-49(43)63(53(45)54(46)64)51-25-13-9-21-47(51)57-59-48-22-10-14-26-52(48)65-57/h1-36H.
What are the key properties of 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?
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 has a molecular weight of 832.97 g/mol, XLogP of 14.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166583272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).