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

C53H33N5 — CID 155477122

IUPAC11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6cc54)cc3)n2)cc1
InChIInChI=1S/C53H33N5/c1-3-15-34(16-4-1)51-54-52(35-17-5-2-6-18-35)56-53(55-51)36-27-29-40(30-28-36)57-46-26-14-12-24-43(46)49-48(57)33-39-21-9-10-22-41(39)50(49)58-45-25-13-11-23-42(45)44-31-37-19-7-8-20-38(37)32-47(44)58/h1-33H
InChIKeyZVMKUIRHRIBCHR-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.37
Rot. Bonds5

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

11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 155477122) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
PubChem CID155477122
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6cc54)cc3)n2)cc1
InChIInChI=1S/C53H33N5/c1-3-15-34(16-4-1)51-54-52(35-17-5-2-6-18-35)56-53(55-51)36-27-29-40(30-28-36)57-46-26-14-12-24-43(46)49-48(57)33-39-21-9-10-22-41(39)50(49)58-45-25-13-11-23-42(45)44-31-37-19-7-8-20-38(37)32-47(44)58/h1-33H
InChIKeyZVMKUIRHRIBCHR-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-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155476957
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
11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477363
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
5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole
CID 162025172
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502133
5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 155450072
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
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945
5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621051

Frequently Asked Questions

What is the IUPAC name of 11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (CID 155477122) is 11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6cc54)cc3)n2)cc1.
What is the InChIKey of 11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The InChIKey is ZVMKUIRHRIBCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-3-15-34(16-4-1)51-54-52(35-17-5-2-6-18-35)56-53(55-51)36-27-29-40(30-28-36)57-46-26-14-12-24-43(46)49-48(57)33-39-21-9-10-22-41(39)50(49)58-45-25-13-11-23-42(45)44-31-37-19-7-8-20-38(37)32-47(44)58/h1-33H.
What are the key properties of 11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
11-benzo[b]carbazol-5-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[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 155477122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).