6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole

C34H39N5S — CID 163424818

About 6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole

6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole (PubChem CID 163424818) has the molecular formula C34H39N5S and a molecular weight of 549.79 g/mol. Its IUPAC name is 6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole.

Molecular Properties

• Compound Name: 6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole
• PubChem CID: 163424818
• Molecular Formula: C34H39N5S
• Molecular Weight: 549.79 g/mol
• Exact Mass: 549.29
• IUPAC Name: 6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole
• SMILES: C1=CC2=C(CC1)N(C1=CC=C(C3=NC(C4C=CN=CC4)NC(C4C=CNCC4)C3)CC1)C1C=CC3=C(SCC3)C21
• InChI: InChI=1S/C34H39N5S/c1-2-4-30-27(3-1)32-31(10-7-24-15-20-40-33(24)32)39(30)26-8-5-22(6-9-26)28-21-29(23-11-16-35-17-12-23)38-34(37-28)25-13-18-36-19-14-25/h1,3,5,7-8,10-11,13,16,18-19,23,25,29,31-32,34-35,38H,2,4,6,9,12,14-15,17,20-21H2
• InChIKey: ALOGPPIJVKGXSA-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 52.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.79
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole?

The IUPAC name of 6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole (CID 163424818) is 6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole.

What is the SMILES notation for 6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole?

The canonical SMILES for 6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole is C1=CC2=C(CC1)N(C1=CC=C(C3=NC(C4C=CN=CC4)NC(C4C=CNCC4)C3)CC1)C1C=CC3=C(SCC3)C21.

What is the InChIKey of 6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole?

The InChIKey is ALOGPPIJVKGXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N5S/c1-2-4-30-27(3-1)32-31(10-7-24-15-20-40-33(24)32)39(30)26-8-5-22(6-9-26)28-21-29(23-11-16-35-17-12-23)38-34(37-28)25-13-18-36-19-14-25/h1,3,5,7-8,10-11,13,16,18-19,23,25,29,31-32,34-35,38H,2,4,6,9,12,14-15,17,20-21H2.

What are the key properties of 6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole?

6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole has a molecular weight of 549.79 g/mol, XLogP of 6.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-(3,4-dihydropyridin-4-yl)-6-(1,2,3,4-tetrahydropyridin-4-yl)-1,2,5,6-tetrahydropyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]-2,3,5a,7,8,10b-hexahydrothieno[3,2-c]carbazole is sourced from PubChem (CID 163424818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).