6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole

C34H29N5O — CID 134390386

IUPAC6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole
SMILESC1=Cc2c(n(C3CC(c4ccncc4)C=C(c4ccncc4)N3)c3ccc4c(c23)OC(c2ccccc2)N4)CC1
InChIInChI=1S/C34H29N5O/c1-2-6-24(7-3-1)34-38-27-10-11-30-32(33(27)40-34)26-8-4-5-9-29(26)39(30)31-21-25(22-12-16-35-17-13-22)20-28(37-31)23-14-18-36-19-15-23/h1-4,6-8,10-20,25,31,34,37-38H,5,9,21H2
InChIKeyRAUCAGOULIBAMH-UHFFFAOYSA-N
MW523.64 g/mol
LogP7.21
Rot. Bonds4

About 6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole

6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole (PubChem CID 134390386) has the molecular formula C34H29N5O and a molecular weight of 523.64 g/mol. Its IUPAC name is 6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole.

Molecular Properties

Compound Name6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole
PubChem CID134390386
Molecular FormulaC34H29N5O
Molecular Weight523.64 g/mol
Exact Mass523.24
IUPAC Name6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole
SMILESC1=Cc2c(n(C3CC(c4ccncc4)C=C(c4ccncc4)N3)c3ccc4c(c23)OC(c2ccccc2)N4)CC1
InChIInChI=1S/C34H29N5O/c1-2-6-24(7-3-1)34-38-27-10-11-30-32(33(27)40-34)26-8-4-5-9-29(26)39(30)31-21-25(22-12-16-35-17-13-22)20-28(37-31)23-14-18-36-19-15-23/h1-4,6-8,10-20,25,31,34,37-38H,5,9,21H2
InChIKeyRAUCAGOULIBAMH-UHFFFAOYSA-N
XLogP7.21
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole?
The IUPAC name of 6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole (CID 134390386) is 6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole.
What is the SMILES notation for 6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole?
The canonical SMILES for 6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole is C1=Cc2c(n(C3CC(c4ccncc4)C=C(c4ccncc4)N3)c3ccc4c(c23)OC(c2ccccc2)N4)CC1.
What is the InChIKey of 6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole?
The InChIKey is RAUCAGOULIBAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N5O/c1-2-6-24(7-3-1)34-38-27-10-11-30-32(33(27)40-34)26-8-4-5-9-29(26)39(30)31-21-25(22-12-16-35-17-13-22)20-28(37-31)23-14-18-36-19-15-23/h1-4,6-8,10-20,25,31,34,37-38H,5,9,21H2.
What are the key properties of 6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole?
6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole has a molecular weight of 523.64 g/mol, XLogP of 7.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dipyridin-4-yl-1,2,3,4-tetrahydropyridin-2-yl)-2-phenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[4,5-c]carbazole is sourced from PubChem (CID 134390386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).