5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole

C53H33N5 — CID 156530949

IUPAC5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc8ccccc8c7)c56)ccc34)n2)cc1
InChIInChI=1S/C53H33N5/c1-3-15-35(16-4-1)51-54-52(36-17-5-2-6-18-36)56-53(55-51)44-23-13-20-38-33-39(28-29-41(38)44)57-47-25-12-10-22-45(47)49-48(57)31-30-43-42-21-9-11-24-46(42)58(50(43)49)40-27-26-34-14-7-8-19-37(34)32-40/h1-33H
InChIKeySEXBNHFGBIIYNF-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.37
Rot. Bonds5

About 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole

5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole (PubChem CID 156530949) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
PubChem CID156530949
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc8ccccc8c7)c56)ccc34)n2)cc1
InChIInChI=1S/C53H33N5/c1-3-15-35(16-4-1)51-54-52(36-17-5-2-6-18-36)56-53(55-51)44-23-13-20-38-33-39(28-29-41(38)44)57-47-25-12-10-22-45(47)49-48(57)31-30-43-42-21-9-11-24-46(42)58(50(43)49)40-27-26-34-14-7-8-19-37(34)32-40/h1-33H
InChIKeySEXBNHFGBIIYNF-UHFFFAOYSA-N
XLogP13.37
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-naphthalen-2-yl-12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240395
22-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;22-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 158569243
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156530747
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156531291
1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole
CID 168764938
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 156530868
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 134598155
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazol-5-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 134598075
5-naphthalen-2-yl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 142481966
5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylbenzo[a]carbazole;3-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)benzo[a]carbazole;1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylbenzo[a]carbazole
CID 161263808
9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
CID 168807697
9-[5-(4-chrysen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazole
CID 170109199

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole?
The IUPAC name of 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole (CID 156530949) is 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc8ccccc8c7)c56)ccc34)n2)cc1.
What is the InChIKey of 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole?
The InChIKey is SEXBNHFGBIIYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-3-15-35(16-4-1)51-54-52(36-17-5-2-6-18-36)56-53(55-51)44-23-13-20-38-33-39(28-29-41(38)44)57-47-25-12-10-22-45(47)49-48(57)31-30-43-42-21-9-11-24-46(42)58(50(43)49)40-27-26-34-14-7-8-19-37(34)32-40/h1-33H.
What are the key properties of 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole?
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole has a molecular weight of 739.88 g/mol, XLogP of 13.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole is sourced from PubChem (CID 156530949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).