zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc — IUPAC name, SMILES, InChIKey & properties

Name: zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc

zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc (PubChem CID 157342608) has the molecular formula C103H67N12O3PZn3-4 and a molecular weight of 1747.89 g/mol. Its IUPAC name is zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc.

Molecular Properties

Compound Name	zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc
PubChem CID	157342608
Molecular Formula	C103H67N12O3PZn3-4
Molecular Weight	1747.89 g/mol
Exact Mass	1742.31
IUPAC Name	zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc
SMILES	Cn1cc[c-][n+]1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6[c-]cccc6c6ccccc65)nc43)[c-]c21.[Zn+2].[Zn].[Zn].[c-]1cccc2cccc(-c3cccc(N4c5ccccc5Oc5ccc(-n6c7[c-]cccc7c7ccccc76)nc54)n3)c12.[c-]1ccccc1C[PH+](CN(c1ccccc1)c1[c-]c2c(-n3[c-]ccc3)coc2o1)c1ccccc1
InChI	InChI=1S/C38H22N4O.C35H22N6.C30H22N2O2P.3Zn/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;1-37-20-8-21-39(37)38-22-19-24-15-16-25(23-33(24)38)40-30-12-5-4-11-28(30)29-17-18-34(36-35(29)40)41-31-13-6-2-9-26(31)27-10-3-7-14-32(27)41;1-4-12-24(13-5-1)22-35(26-16-8-3-9-17-26)23-32(25-14-6-2-7-15-25)29-20-27-28(21-33-30(27)34-29)31-18-10-11-19-31;;;/h1-12,14-18,20-24H;2-13,15-20,22H,1H3;1-12,14-18,21H,22-23H2;;;/q2*-2;-3;;;+2/p+1
InChIKey	WYWKIOJYSNXLGK-UHFFFAOYSA-O
XLogP	23.18
TPSA	114.12 Å²
H-Bond Donors
H-Bond Acceptors	14
Rotatable Bonds	14
Heavy Atoms	122
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1747.89
LogP ≤ 5	23.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc with MolForge

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Frequently Asked Questions

What is the IUPAC name of zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc?

The IUPAC name of zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc (CID 157342608) is zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc.

What is the SMILES notation for zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc?

The canonical SMILES for zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc is Cn1cc[c-][n+]1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6[c-]cccc6c6ccccc65)nc43)[c-]c21.[Zn+2].[Zn].[Zn].[c-]1cccc2cccc(-c3cccc(N4c5ccccc5Oc5ccc(-n6c7[c-]cccc7c7ccccc76)nc54)n3)c12.[c-]1ccccc1C[PH+](CN(c1ccccc1)c1[c-]c2c(-n3[c-]ccc3)coc2o1)c1ccccc1.

What is the InChIKey of zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc?

The InChIKey is WYWKIOJYSNXLGK-UHFFFAOYSA-O. The full InChI is InChI=1S/C38H22N4O.C35H22N6.C30H22N2O2P.3Zn/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;1-37-20-8-21-39(37)38-22-19-24-15-16-25(23-33(24)38)40-30-12-5-4-11-28(30)29-17-18-34(36-35(29)40)41-31-13-6-2-9-26(31)27-10-3-7-14-32(27)41;1-4-12-24(13-5-1)22-35(26-16-8-3-9-17-26)23-32(25-14-6-2-7-15-25)29-20-27-28(21-33-30(27)34-29)31-18-10-11-19-31;;;/h1-12,14-18,20-24H;2-13,15-20,22H,1H3;1-12,14-18,21H,22-23H2;;;/q2*-2;-3;;;+2/p+1.

What are the key properties of zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc?

Where does this data come from?

All data for zinc;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-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;phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium;zinc is sourced from PubChem (CID 157342608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).