2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine

C105H66Cu3N11O3-9 — CID 158165032

About 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine

2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine (PubChem CID 158165032) has the molecular formula C105H66Cu3N11O3-9 and a molecular weight of 1720.39 g/mol. Its IUPAC name is 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine.

Molecular Properties

• Compound Name: 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine
• PubChem CID: 158165032
• Molecular Formula: C105H66Cu3N11O3-9
• Molecular Weight: 1720.39 g/mol
• Exact Mass: 1717.33
• IUPAC Name: 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine
• SMILES: Cn1cc[c-]c1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6[c-]cccc6c6ccccc65)nc43)[c-]c21.[Cu].[Cu].[Cu].[c-]1c(-c2cccc3ccc[c-]c23)cccc1N1c2ccccc2Oc2ccc(-n3c4[c-]cccc4c4ccccc43)nc21.[c-]1ccccc1C[C-](CN(c1ccccc1)c1nc2c(-n3[c-]ccc3)coc2o1)c1ccccc1
• InChI: InChI=1S/C39H22N3O.C36H22N5.C30H22N3O2.3Cu/c1-2-15-29-26(11-1)12-10-18-30(29)27-13-9-14-28(25-27)41-35-21-7-8-22-36(35)43-37-23-24-38(40-39(37)41)42-33-19-5-3-16-31(33)32-17-4-6-20-34(32)42;1-38-21-8-15-35(38)39-22-20-24-16-17-25(23-33(24)39)40-30-12-5-4-11-28(30)29-18-19-34(37-36(29)40)41-31-13-6-2-9-26(31)27-10-3-7-14-32(27)41;1-4-12-23(13-5-1)20-25(24-14-6-2-7-15-24)21-33(26-16-8-3-9-17-26)30-31-28-27(22-34-29(28)35-30)32-18-10-11-19-32;;;/h1-14,16-19,21-24H;2-13,16-22H,1H3;1-12,14-18,22H,20-21H2;;;/q3*-3
• InChIKey: VUYHYCLZNXTQGA-UHFFFAOYSA-N
• XLogP: 24.74
• TPSA: 110.24 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1720.39
LogP ≤ 5	24.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine?

The IUPAC name of 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine (CID 158165032) is 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine.

What is the SMILES notation for 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine?

The canonical SMILES for 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine is Cn1cc[c-]c1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6[c-]cccc6c6ccccc65)nc43)[c-]c21.[Cu].[Cu].[Cu].[c-]1c(-c2cccc3ccc[c-]c23)cccc1N1c2ccccc2Oc2ccc(-n3c4[c-]cccc4c4ccccc43)nc21.[c-]1ccccc1C[C-](CN(c1ccccc1)c1nc2c(-n3[c-]ccc3)coc2o1)c1ccccc1.

What is the InChIKey of 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine?

The InChIKey is VUYHYCLZNXTQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N3O.C36H22N5.C30H22N3O2.3Cu/c1-2-15-29-26(11-1)12-10-18-30(29)27-13-9-14-28(25-27)41-35-21-7-8-22-36(35)43-37-23-24-38(40-39(37)41)42-33-19-5-3-16-31(33)32-17-4-6-20-34(32)42;1-38-21-8-15-35(38)39-22-20-24-16-17-25(23-33(24)39)40-30-12-5-4-11-28(30)29-18-19-34(37-36(29)40)41-31-13-6-2-9-26(31)27-10-3-7-14-32(27)41;1-4-12-23(13-5-1)20-25(24-14-6-2-7-15-24)21-33(26-16-8-3-9-17-26)30-31-28-27(22-34-29(28)35-30)32-18-10-11-19-32;;;/h1-14,16-19,21-24H;2-13,16-22H,1H3;1-12,14-18,22H,20-21H2;;;/q3*-3;;;.

What are the key properties of 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine?

2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine has a molecular weight of 1720.39 g/mol, XLogP of 24.74, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine is sourced from PubChem (CID 158165032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).