11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole

C53H33N5 — CID 155477363

IUPAC11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccc8ccccc8c76)c6ccccc6cc54)cc3)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)37-27-30-39(31-28-37)57-46-26-14-12-24-44(46)48-47(57)33-38-20-8-10-22-41(38)50(48)58-45-25-13-11-23-42(45)43-32-29-34-15-7-9-21-40(34)49(43)58/h1-33H
InChIKeyYZUNMOKHODIKKU-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.37
Rot. Bonds5

About 11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole

11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 155477363) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
PubChem CID155477363
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccc8ccccc8c76)c6ccccc6cc54)cc3)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)37-27-30-39(31-28-37)57-46-26-14-12-24-44(46)48-47(57)33-38-20-8-10-22-41(38)50(48)58-45-25-13-11-23-42(45)43-32-29-34-15-7-9-21-40(34)49(43)58/h1-33H
InChIKeyYZUNMOKHODIKKU-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

11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477122
11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146375682
11-benzo[a]carbazol-11-yl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 155477166
11-[4-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109348
11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 167032232
11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155476957
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
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
9-benzo[a]carbazol-11-yl-5-[8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;11-benzo[a]carbazol-11-yl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;9-benzo[a]carbazol-11-yl-5-[8-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 158213992
8-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;9-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 158247686
3-carbazol-9-yl-5-[4-[4-[3-[9-[5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazol-11-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155477643
11-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 135245189

Frequently Asked Questions

What is the IUPAC name of 11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (CID 155477363) is 11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccc8ccccc8c76)c6ccccc6cc54)cc3)n2)cc1.
What is the InChIKey of 11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The InChIKey is YZUNMOKHODIKKU-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)37-27-30-39(31-28-37)57-46-26-14-12-24-44(46)48-47(57)33-38-20-8-10-22-41(38)50(48)58-45-25-13-11-23-42(45)43-32-29-34-15-7-9-21-40(34)49(43)58/h1-33H.
What are the key properties of 11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
11-benzo[a]carbazol-11-yl-5-[4-(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 11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 155477363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).