3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole

C53H33N5 — CID 155477032

IUPAC3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4cc(-n5c6ccccc6c6c7ccccc7ccc65)ccc4c4cc5ccccc5cc43)n2)cc1
InChIInChI=1S/C53H33N5/c1-3-16-35(17-4-1)51-54-52(36-18-5-2-6-19-36)56-53(55-51)43-24-12-14-26-46(43)58-48-32-38-21-8-7-20-37(38)31-44(48)41-29-28-39(33-49(41)58)57-45-25-13-11-23-42(45)50-40-22-10-9-15-34(40)27-30-47(50)57/h1-33H
InChIKeyCZGDUTFFFBFNCK-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.37
Rot. Bonds5

About 3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole

3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 155477032) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
PubChem CID155477032
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4cc(-n5c6ccccc6c6c7ccccc7ccc65)ccc4c4cc5ccccc5cc43)n2)cc1
InChIInChI=1S/C53H33N5/c1-3-16-35(17-4-1)51-54-52(36-18-5-2-6-19-36)56-53(55-51)43-24-12-14-26-46(43)58-48-32-38-21-8-7-20-37(38)31-44(48)41-29-28-39(33-49(41)58)57-45-25-13-11-23-42(45)50-40-22-10-9-15-34(40)27-30-47(50)57/h1-33H
InChIKeyCZGDUTFFFBFNCK-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

3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477338
16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-yl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654237
9-benzo[c]carbazol-7-yl-5-[4-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 155477237
1-carbazol-9-yl-5-[2-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;3-carbazol-9-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;11-carbazol-9-yl-5-[2-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 158014065
7-[2-(4-chrysen-6-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 170109239
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621947
5-[2-(4-chrysen-6-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 170109341
2-benzo[c]carbazol-7-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;9-benzo[c]carbazol-7-yl-5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[c]carbazol-7-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 159716086
7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 155477625
9-benzo[c]carbazol-7-yl-5-[3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477284
7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 167032390
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155450189

Frequently Asked Questions

What is the IUPAC name of 3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (CID 155477032) is 3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4cc(-n5c6ccccc6c6c7ccccc7ccc65)ccc4c4cc5ccccc5cc43)n2)cc1.
What is the InChIKey of 3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The InChIKey is CZGDUTFFFBFNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-3-16-35(17-4-1)51-54-52(36-18-5-2-6-19-36)56-53(55-51)43-24-12-14-26-46(43)58-48-32-38-21-8-7-20-37(38)31-44(48)41-29-28-39(33-49(41)58)57-45-25-13-11-23-42(45)50-40-22-10-9-15-34(40)27-30-47(50)57/h1-33H.
What are the key properties of 3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]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 3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 155477032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).