10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole

C46H29N7 — CID 90231427

IUPAC10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc7c(cnn7-c7ccccc7)c65)ccc43)n2)cc1
InChIInChI=1S/C46H29N7/c1-4-14-30(15-5-1)44-48-45(31-16-6-2-7-17-31)50-46(49-44)52-40-23-13-11-21-35(40)37-28-33(24-26-41(37)52)51-39-22-12-10-20-34(39)36-25-27-42-38(43(36)51)29-47-53(42)32-18-8-3-9-19-32/h1-29H
InChIKeyJTHBILFEPGXFCJ-UHFFFAOYSA-N
MW679.79 g/mol
LogP10.74
Rot. Bonds5

About 10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole

10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole (PubChem CID 90231427) has the molecular formula C46H29N7 and a molecular weight of 679.79 g/mol. Its IUPAC name is 10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole.

Molecular Properties

Compound Name10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole
PubChem CID90231427
Molecular FormulaC46H29N7
Molecular Weight679.79 g/mol
Exact Mass679.25
IUPAC Name10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc7c(cnn7-c7ccccc7)c65)ccc43)n2)cc1
InChIInChI=1S/C46H29N7/c1-4-14-30(15-5-1)44-48-45(31-16-6-2-7-17-31)50-46(49-44)52-40-23-13-11-21-35(40)37-28-33(24-26-41(37)52)51-39-22-12-10-20-34(39)36-25-27-42-38(43(36)51)29-47-53(42)32-18-8-3-9-19-32/h1-29H
InChIKeyJTHBILFEPGXFCJ-UHFFFAOYSA-N
XLogP10.74
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.79
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole
CID 90231417
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole
CID 129303871
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole
CID 129303351
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazole
CID 168729522
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729477
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160782385
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-12-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168729405
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268443
3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole
CID 163617789
12-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 58556525
3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole
CID 168729461

Frequently Asked Questions

What is the IUPAC name of 10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole?
The IUPAC name of 10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole (CID 90231427) is 10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole.
What is the SMILES notation for 10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole?
The canonical SMILES for 10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc7c(cnn7-c7ccccc7)c65)ccc43)n2)cc1.
What is the InChIKey of 10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole?
The InChIKey is JTHBILFEPGXFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N7/c1-4-14-30(15-5-1)44-48-45(31-16-6-2-7-17-31)50-46(49-44)52-40-23-13-11-21-35(40)37-28-33(24-26-41(37)52)51-39-22-12-10-20-34(39)36-25-27-42-38(43(36)51)29-47-53(42)32-18-8-3-9-19-32/h1-29H.
What are the key properties of 10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole?
10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole has a molecular weight of 679.79 g/mol, XLogP of 10.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole is sourced from PubChem (CID 90231427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).