2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole

C38H27N5O2 — CID 135250126

About 2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole

2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 135250126) has the molecular formula C38H27N5O2 and a molecular weight of 585.67 g/mol. Its IUPAC name is 2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
• PubChem CID: 135250126
• Molecular Formula: C38H27N5O2
• Molecular Weight: 585.67 g/mol
• Exact Mass: 585.22
• IUPAC Name: 2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
• SMILES: c1ccc(-n2c3cc(-c4ccc(C5=NCCO5)cn4)ccc3c3c4ccccc4c(-c4ccc(C5=NCCO5)cn4)cc32)cc1
• InChI: InChI=1S/C38H27N5O2/c1-2-6-27(7-3-1)43-34-20-24(32-14-11-25(22-41-32)37-39-16-18-44-37)10-13-30(34)36-29-9-5-4-8-28(29)31(21-35(36)43)33-15-12-26(23-42-33)38-40-17-19-45-38/h1-15,20-23H,16-19H2
• InChIKey: BPWANTBESGGUMP-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 73.89 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.67
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole?

The IUPAC name of 2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 135250126) is 2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for 2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole?

The canonical SMILES for 2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole is c1ccc(-n2c3cc(-c4ccc(C5=NCCO5)cn4)ccc3c3c4ccccc4c(-c4ccc(C5=NCCO5)cn4)cc32)cc1.

What is the InChIKey of 2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole?

The InChIKey is BPWANTBESGGUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N5O2/c1-2-6-27(7-3-1)43-34-20-24(32-14-11-25(22-41-32)37-39-16-18-44-37)10-13-30(34)36-29-9-5-4-8-28(29)31(21-35(36)43)33-15-12-26(23-42-33)38-40-17-19-45-38/h1-15,20-23H,16-19H2.

What are the key properties of 2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole?

2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 585.67 g/mol, XLogP of 7.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135250126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).