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

C46H29N7 — CID 129303351

IUPAC3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-n5ncc6c5ccc5c7ccccc7n(-c7ccccc7)c56)c43)n2)cc1
InChIInChI=1S/C46H29N7/c1-4-15-30(16-5-1)44-48-45(31-17-6-2-7-18-31)50-46(49-44)52-39-25-13-11-21-33(39)35-23-14-26-41(43(35)52)53-40-28-27-36-34-22-10-12-24-38(34)51(32-19-8-3-9-20-32)42(36)37(40)29-47-53/h1-29H
InChIKeySFRGWFWHZUWJRE-UHFFFAOYSA-N
MW679.79 g/mol
LogP10.74
Rot. Bonds5

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

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole (PubChem CID 129303351) has the molecular formula C46H29N7 and a molecular weight of 679.79 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole.

Molecular Properties

Compound Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole
PubChem CID129303351
Molecular FormulaC46H29N7
Molecular Weight679.79 g/mol
Exact Mass679.25
IUPAC Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-n5ncc6c5ccc5c7ccccc7n(-c7ccccc7)c56)c43)n2)cc1
InChIInChI=1S/C46H29N7/c1-4-15-30(16-5-1)44-48-45(31-17-6-2-7-18-31)50-46(49-44)52-39-25-13-11-21-33(39)35-23-14-26-41(43(35)52)53-40-28-27-36-34-22-10-12-24-38(34)51(32-19-8-3-9-20-32)42(36)37(40)29-47-53/h1-29H
InChIKeySFRGWFWHZUWJRE-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
10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole
CID 90231427
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
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
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 161432881
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 158055885
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazole
CID 168729522
12-[4-[4-(4-fluorophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 144596071
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 170268449
12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037027

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole?
The IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole (CID 129303351) is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole.
What is the SMILES notation for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole?
The canonical SMILES for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-n5ncc6c5ccc5c7ccccc7n(-c7ccccc7)c56)c43)n2)cc1.
What is the InChIKey of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole?
The InChIKey is SFRGWFWHZUWJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N7/c1-4-15-30(16-5-1)44-48-45(31-17-6-2-7-18-31)50-46(49-44)52-39-25-13-11-21-33(39)35-23-14-26-41(43(35)52)53-40-28-27-36-34-22-10-12-24-38(34)51(32-19-8-3-9-20-32)42(36)37(40)29-47-53/h1-29H.
What are the key properties of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole?
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-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 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole is sourced from PubChem (CID 129303351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).