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10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole

C40H28N6 — CID 144976056

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole
SMILESC1=CC2c3ccc4c(cnn4-c4ccccc4)c3N(c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)C2C=C1
InChIInChI=1S/C40H28N6/c1-4-13-27(14-5-1)38-42-39(28-15-6-2-7-16-28)44-40(43-38)29-17-12-20-31(25-29)45-35-22-11-10-21-32(35)33-23-24-36-34(37(33)45)26-41-46(36)30-18-8-3-9-19-30/h1-26,32,35H
InChIKeyVCKCFEDHDZULGD-UHFFFAOYSA-N
MW592.71 g/mol
LogP8.94
Rot. Bonds5

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

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole (PubChem CID 144976056) has the molecular formula C40H28N6 and a molecular weight of 592.71 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole.

Molecular Properties

Compound Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole
PubChem CID144976056
Molecular FormulaC40H28N6
Molecular Weight592.71 g/mol
Exact Mass592.24
IUPAC Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole
SMILESC1=CC2c3ccc4c(cnn4-c4ccccc4)c3N(c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)C2C=C1
InChIInChI=1S/C40H28N6/c1-4-13-27(14-5-1)38-42-39(28-15-6-2-7-16-28)44-40(43-38)29-17-12-20-31(25-29)45-35-22-11-10-21-32(35)33-23-24-36-34(37(33)45)26-41-46(36)30-18-8-3-9-19-30/h1-26,32,35H
InChIKeyVCKCFEDHDZULGD-UHFFFAOYSA-N
XLogP8.94
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.71
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole?
The IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole (CID 144976056) is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole.
What is the SMILES notation for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole?
The canonical SMILES for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole is C1=CC2c3ccc4c(cnn4-c4ccccc4)c3N(c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)C2C=C1.
What is the InChIKey of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole?
The InChIKey is VCKCFEDHDZULGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N6/c1-4-13-27(14-5-1)38-42-39(28-15-6-2-7-16-28)44-40(43-38)29-17-12-20-31(25-29)45-35-22-11-10-21-32(35)33-23-24-36-34(37(33)45)26-41-46(36)30-18-8-3-9-19-30/h1-26,32,35H.
What are the key properties of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole?
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole has a molecular weight of 592.71 g/mol, XLogP of 8.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5b,9a-dihydropyrazolo[4,5-a]carbazole is sourced from PubChem (CID 144976056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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