3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine

C57H36N6O — CID 58029128

IUPAC3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)Oc6ccccc6N7c6ccccc6)c45)c3)n2)cc1
InChIInChI=1S/C57H36N6O/c1-4-17-37(18-5-1)55-58-56(38-19-6-2-7-20-38)60-57(59-55)39-21-16-24-41(35-39)62-47-28-13-11-26-45(47)53-50(62)34-32-44-43-25-10-12-27-46(43)63(54(44)53)42-31-33-49-52(36-42)64-51-30-15-14-29-48(51)61(49)40-22-8-3-9-23-40/h1-36H
InChIKeyZLTWHKZIHSADPM-UHFFFAOYSA-N
MW820.96 g/mol
LogP14.64
Rot. Bonds6

About 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine

3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine (PubChem CID 58029128) has the molecular formula C57H36N6O and a molecular weight of 820.96 g/mol. Its IUPAC name is 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine.

Molecular Properties

Compound Name3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine
PubChem CID58029128
Molecular FormulaC57H36N6O
Molecular Weight820.96 g/mol
Exact Mass820.30
IUPAC Name3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)Oc6ccccc6N7c6ccccc6)c45)c3)n2)cc1
InChIInChI=1S/C57H36N6O/c1-4-17-37(18-5-1)55-58-56(38-19-6-2-7-20-38)60-57(59-55)39-21-16-24-41(35-39)62-47-28-13-11-26-45(47)53-50(62)34-32-44-43-25-10-12-27-46(43)63(54(44)53)42-31-33-49-52(36-42)64-51-30-15-14-29-48(51)61(49)40-22-8-3-9-23-40/h1-36H
InChIKeyZLTWHKZIHSADPM-UHFFFAOYSA-N
XLogP14.64
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.96
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine?
The IUPAC name of 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine (CID 58029128) is 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine.
What is the SMILES notation for 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine?
The canonical SMILES for 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)Oc6ccccc6N7c6ccccc6)c45)c3)n2)cc1.
What is the InChIKey of 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine?
The InChIKey is ZLTWHKZIHSADPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6O/c1-4-17-37(18-5-1)55-58-56(38-19-6-2-7-20-38)60-57(59-55)39-21-16-24-41(35-39)62-47-28-13-11-26-45(47)53-50(62)34-32-44-43-25-10-12-27-46(43)63(54(44)53)42-31-33-49-52(36-42)64-51-30-15-14-29-48(51)61(49)40-22-8-3-9-23-40/h1-36H.
What are the key properties of 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine?
3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine has a molecular weight of 820.96 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine is sourced from PubChem (CID 58029128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).