9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole

C46H30N6 — CID 90231421

IUPAC9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc7cnn(-c8ccccc8)c7cc65)cc4)c3)n2)cc1
InChIInChI=1S/C46H30N6/c1-4-13-32(14-5-1)44-48-45(33-15-6-2-7-16-33)50-46(49-44)35-18-12-17-34(27-35)31-23-25-37(26-24-31)51-41-22-11-10-21-39(41)40-28-36-30-47-52(42(36)29-43(40)51)38-19-8-3-9-20-38/h1-30H
InChIKeyLKZZTOFTTHTREE-UHFFFAOYSA-N
MW666.79 g/mol
LogP10.98
Rot. Bonds6

About 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole

9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole (PubChem CID 90231421) has the molecular formula C46H30N6 and a molecular weight of 666.79 g/mol. Its IUPAC name is 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole.

Molecular Properties

Compound Name9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole
PubChem CID90231421
Molecular FormulaC46H30N6
Molecular Weight666.79 g/mol
Exact Mass666.25
IUPAC Name9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc7cnn(-c8ccccc8)c7cc65)cc4)c3)n2)cc1
InChIInChI=1S/C46H30N6/c1-4-13-32(14-5-1)44-48-45(33-15-6-2-7-16-33)50-46(49-44)35-18-12-17-34(27-35)31-23-25-37(26-24-31)51-41-22-11-10-21-39(41)40-28-36-30-47-52(42(36)29-43(40)51)38-19-8-3-9-20-38/h1-30H
InChIKeyLKZZTOFTTHTREE-UHFFFAOYSA-N
XLogP10.98
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.79
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 118508799
7-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 164800029
7-(4-phenylphenyl)-5-[4-phenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 156556458
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 156554523
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 165079921
5-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362546
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158533687
9-[4-[4-[3-[3-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 58943500
3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 134236862

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole?
The IUPAC name of 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole (CID 90231421) is 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole.
What is the SMILES notation for 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole?
The canonical SMILES for 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc7cnn(-c8ccccc8)c7cc65)cc4)c3)n2)cc1.
What is the InChIKey of 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole?
The InChIKey is LKZZTOFTTHTREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N6/c1-4-13-32(14-5-1)44-48-45(33-15-6-2-7-16-33)50-46(49-44)35-18-12-17-34(27-35)31-23-25-37(26-24-31)51-41-22-11-10-21-39(41)40-28-36-30-47-52(42(36)29-43(40)51)38-19-8-3-9-20-38/h1-30H.
What are the key properties of 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole?
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole has a molecular weight of 666.79 g/mol, XLogP of 10.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylpyrazolo[3,4-b]carbazole is sourced from PubChem (CID 90231421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).