2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium

C102H67Mn3N13O3P+ — CID 160551467

About 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium

2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium (PubChem CID 160551467) has the molecular formula C102H67Mn3N13O3P+ and a molecular weight of 1718.53 g/mol. Its IUPAC name is 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium.

Molecular Properties

• Compound Name: 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium
• PubChem CID: 160551467
• Molecular Formula: C102H67Mn3N13O3P+
• Molecular Weight: 1718.53 g/mol
• Exact Mass: 1717.34
• IUPAC Name: 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium
• SMILES: Cn1cc[c-]c1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6[c-]cccc6c6ccccc65)nc43)nc21.[Mn+2].[Mn+2].[Mn+2].[c-]1cccc2cccc(-c3cccc(N4c5ccccc5Oc5ccc(-n6c7[c-]cccc7c7ccccc76)nc54)n3)c12.[c-]1ccccc1C[PH+](CN(c1ccccc1)c1nc2c(-n3[c-]ccc3)coc2o1)c1ccccc1
• InChI: InChI=1S/C38H22N4O.C35H22N6.C29H22N3O2P.3Mn/c1-2-13-26-25(11-1)12-9-16-27(26)30-17-10-22-36(39-30)42-33-20-7-8-21-34(33)43-35-23-24-37(40-38(35)42)41-31-18-5-3-14-28(31)29-15-4-6-19-32(29)41;1-38-21-8-15-33(38)39-22-20-23-16-18-32(36-34(23)39)41-30-14-7-4-11-26(30)27-17-19-31(37-35(27)41)40-28-12-5-2-9-24(28)25-10-3-6-13-29(25)40;1-4-12-23(13-5-1)21-35(25-16-8-3-9-17-25)22-32(24-14-6-2-7-15-24)29-30-27-26(20-33-28(27)34-29)31-18-10-11-19-31;;;/h1-12,14-18,20-24H;2-12,14,16-22H,1H3;1-12,14-18,20H,21-22H2;;;/q3*-2;3*+2/p+1
• InChIKey: MOKMZJZWYKDZMO-UHFFFAOYSA-O
• XLogP: 23.76
• TPSA: 136.02 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1718.53
LogP ≤ 5	23.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium?

The IUPAC name of 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium (CID 160551467) is 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium.

What is the SMILES notation for 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium?

The canonical SMILES for 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium is Cn1cc[c-]c1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6[c-]cccc6c6ccccc65)nc43)nc21.[Mn+2].[Mn+2].[Mn+2].[c-]1cccc2cccc(-c3cccc(N4c5ccccc5Oc5ccc(-n6c7[c-]cccc7c7ccccc76)nc54)n3)c12.[c-]1ccccc1C[PH+](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)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium?

The InChIKey is MOKMZJZWYKDZMO-UHFFFAOYSA-O. The full InChI is InChI=1S/C38H22N4O.C35H22N6.C29H22N3O2P.3Mn/c1-2-13-26-25(11-1)12-9-16-27(26)30-17-10-22-36(39-30)42-33-20-7-8-21-34(33)43-35-23-24-37(40-38(35)42)41-31-18-5-3-14-28(31)29-15-4-6-19-32(29)41;1-38-21-8-15-33(38)39-22-20-23-16-18-32(36-34(23)39)41-30-14-7-4-11-26(30)27-17-19-31(37-35(27)41)40-28-12-5-2-9-24(28)25-10-3-6-13-29(25)40;1-4-12-23(13-5-1)21-35(25-16-8-3-9-17-25)22-32(24-14-6-2-7-15-24)29-30-27-26(20-33-28(27)34-29)31-18-10-11-19-31;;;/h1-12,14-18,20-24H;2-12,14,16-22H,1H3;1-12,14-18,20H,21-22H2;;;/q3*-2;3*+2/p+1.

What are the key properties of 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium?

2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium has a molecular weight of 1718.53 g/mol, XLogP of 23.76, 14 rotatable bonds, 0 hydrogen bond donors, and 16 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)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;tris(manganese(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium is sourced from PubChem (CID 160551467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).