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(palladium(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium

C102H67N13O3PPd3+ — CID 161788792

IUPAC2-(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(palladium(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium
SMILESCN1C=C[C-]=C1N2C=CC3=C2N=C(C=C3)N4C5=CC=CC=C5C6=C4N=C(C=C6)N7C8=CC=CC=C8C9=CC=C[C-]=C97.C1=CC=C(C=C1)N(C[PH+](CC2=CC=CC=[C-]2)C3=CC=CC=C3)C4=NC5=C(O4)OC=C5N6C=CC=[C-]6.C1=CC=C2C(=C1)C3=CC=C[C-]=C3N2C4=NC5=C(C=C4)OC6=CC=CC=C6N5C7=CC=CC(=N7)C8=CC=CC9=CC=C[C-]=C98.[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C38H22N4O.C35H22N6.C29H22N3O2P.3Pd/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
InChIKeyKLXYGFXMDLLOMS-UHFFFAOYSA-O
MW1872.90 g/mol
LogP—
Rot. Bonds2

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(palladium(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(palladium(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 161788792) has the molecular formula C102H67N13O3PPd3+ and a molecular weight of 1872.90 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(palladium(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 Name2-(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(palladium(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium
PubChem CID161788792
Molecular FormulaC102H67N13O3PPd3+
Molecular Weight1872.90 g/mol
Exact Mass1872.24
IUPAC Name2-(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(palladium(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium
SMILESCN1C=C[C-]=C1N2C=CC3=C2N=C(C=C3)N4C5=CC=CC=C5C6=C4N=C(C=C6)N7C8=CC=CC=C8C9=CC=C[C-]=C97.C1=CC=C(C=C1)N(C[PH+](CC2=CC=CC=[C-]2)C3=CC=CC=C3)C4=NC5=C(O4)OC=C5N6C=CC=[C-]6.C1=CC=C2C(=C1)C3=CC=C[C-]=C3N2C4=NC5=C(C=C4)OC6=CC=CC=C6N5C7=CC=CC(=N7)C8=CC=CC9=CC=C[C-]=C98.[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/C38H22N4O.C35H22N6.C29H22N3O2P.3Pd/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
InChIKeyKLXYGFXMDLLOMS-UHFFFAOYSA-O
XLogP—
TPSA129.00 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds2
Heavy Atoms122
Complexity3470

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001872.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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(palladium(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium with MolForge

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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(palladium(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(palladium(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium (CID 161788792) 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(palladium(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(palladium(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(palladium(2+));phenyl-(phenylmethyl)-[(N-[6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-yl]anilino)methyl]phosphanium is CN1C=C[C-]=C1N2C=CC3=C2N=C(C=C3)N4C5=CC=CC=C5C6=C4N=C(C=C6)N7C8=CC=CC=C8C9=CC=C[C-]=C97.C1=CC=C(C=C1)N(C[PH+](CC2=CC=CC=[C-]2)C3=CC=CC=C3)C4=NC5=C(O4)OC=C5N6C=CC=[C-]6.C1=CC=C2C(=C1)C3=CC=C[C-]=C3N2C4=NC5=C(C=C4)OC6=CC=CC=C6N5C7=CC=CC(=N7)C8=CC=CC9=CC=C[C-]=C98.[Pd+2].[Pd+2].[Pd+2].
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(palladium(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 KLXYGFXMDLLOMS-UHFFFAOYSA-O. The full InChI is InChI=1S/C38H22N4O.C35H22N6.C29H22N3O2P.3Pd/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(palladium(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(palladium(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 1872.90 g/mol, XLogP of not available, 2 rotatable bonds, 0 hydrogen bond donors, and 20 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(palladium(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 161788792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).