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

C57H35N5 — CID 155477338

IUPAC3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccccc3-n3c4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc4c4cc5ccccc5cc43)n2)cc1
InChIInChI=1S/C57H35N5/c1-2-15-37(16-3-1)55-58-56(43-27-26-36-14-4-5-17-38(36)30-43)60-57(59-55)47-23-11-13-25-51(47)62-53-34-42-21-9-7-19-40(42)32-49(53)46-29-28-44(35-54(46)62)61-50-24-12-10-22-45(50)48-31-39-18-6-8-20-41(39)33-52(48)61/h1-35H
InChIKeyMSKFUYWAMSBPFL-UHFFFAOYSA-N
MW789.94 g/mol
LogP14.53
Rot. Bonds5

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

3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 155477338) has the molecular formula C57H35N5 and a molecular weight of 789.94 g/mol. Its IUPAC name is 3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
PubChem CID155477338
Molecular FormulaC57H35N5
Molecular Weight789.94 g/mol
Exact Mass789.29
IUPAC Name3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccccc3-n3c4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc4c4cc5ccccc5cc43)n2)cc1
InChIInChI=1S/C57H35N5/c1-2-15-37(16-3-1)55-58-56(43-27-26-36-14-4-5-17-38(36)30-43)60-57(59-55)47-23-11-13-25-51(47)62-53-34-42-21-9-7-19-40(42)32-49(53)46-29-28-44(35-54(46)62)61-50-24-12-10-22-45(50)48-31-39-18-6-8-20-41(39)33-52(48)61/h1-35H
InChIKeyMSKFUYWAMSBPFL-UHFFFAOYSA-N
XLogP14.53
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.94
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621947
3-benzo[c]carbazol-7-yl-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477032
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
8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 155477392
5-[2-(4-chrysen-6-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 170109341
3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155477089
9-[5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
CID 165105451
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621065
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylbenzo[b]carbazole;1-carbazol-9-yl-5-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;3-carbazol-9-yl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 162035332
5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621284
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
9-naphthalen-2-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087222

Frequently Asked Questions

What is the IUPAC name of 3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 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) is 3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccccc3-n3c4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc4c4cc5ccccc5cc43)n2)cc1.
What is the InChIKey of 3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The InChIKey is MSKFUYWAMSBPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5/c1-2-15-37(16-3-1)55-58-56(43-27-26-36-14-4-5-17-38(36)30-43)60-57(59-55)47-23-11-13-25-51(47)62-53-34-42-21-9-7-19-40(42)32-49(53)46-29-28-44(35-54(46)62)61-50-24-12-10-22-45(50)48-31-39-18-6-8-20-41(39)33-52(48)61/h1-35H.
What are the key properties of 3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 789.94 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 155477338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).