3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum

C126H111F8N12O10Pt5-5 — CID 158449906

IUPAC3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CNCc1ccnc(-c2[c-]c(F)ccc2)c1.CNCc1ccnc(-c2[c-]ccc(F)c2)c1.Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)[c-]c(C(F)(F)F)c1.Cc1cc(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)[c-]c(C(F)(F)F)c1.[C-]#[N+]c1cc(C#N)[c-]c(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)c1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C25H16F3N2.C25H18F3N2.C25H13N4.2C13H12FN2.5C5H8O2.5Pt/c1-16-12-17(14-18(13-16)25(26,27)28)22-15-19(10-11-29-22)30-23-8-4-2-6-20(23)21-7-3-5-9-24(21)30;1-18-14-19(16-20(15-18)25(26,27)28)24-17-23(12-13-29-24)30(21-8-4-2-5-9-21)22-10-6-3-7-11-22;1-27-19-13-17(16-26)12-18(14-19)23-15-20(10-11-28-23)29-24-8-4-2-6-21(24)22-7-3-5-9-25(22)29;2*1-15-9-10-5-6-16-13(7-10)11-3-2-4-12(14)8-11;5*1-4(6)3-5(2)7;;;;;/h2-13,15H,1H3;2-15,17H,1H3;2-11,13-15H;2,4-8,15H,9H2,1H3;2-7,15H,9H2,1H3;5*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyBEUIZIHVEZKBRN-UHFFFAOYSA-N
MW3080.72 g/mol
LogP30.38
Rot. Bonds19

About 3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum

3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum (PubChem CID 158449906) has the molecular formula C126H111F8N12O10Pt5-5 and a molecular weight of 3080.72 g/mol. Its IUPAC name is 3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum.

Molecular Properties

Compound Name3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum
PubChem CID158449906
Molecular FormulaC126H111F8N12O10Pt5-5
Molecular Weight3080.72 g/mol
Exact Mass3078.67
IUPAC Name3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CNCc1ccnc(-c2[c-]c(F)ccc2)c1.CNCc1ccnc(-c2[c-]ccc(F)c2)c1.Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)[c-]c(C(F)(F)F)c1.Cc1cc(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)[c-]c(C(F)(F)F)c1.[C-]#[N+]c1cc(C#N)[c-]c(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)c1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C25H16F3N2.C25H18F3N2.C25H13N4.2C13H12FN2.5C5H8O2.5Pt/c1-16-12-17(14-18(13-16)25(26,27)28)22-15-19(10-11-29-22)30-23-8-4-2-6-20(23)21-7-3-5-9-24(21)30;1-18-14-19(16-20(15-18)25(26,27)28)24-17-23(12-13-29-24)30(21-8-4-2-5-9-21)22-10-6-3-7-11-22;1-27-19-13-17(16-26)12-18(14-19)23-15-20(10-11-28-23)29-24-8-4-2-6-21(24)22-7-3-5-9-25(22)29;2*1-15-9-10-5-6-16-13(7-10)11-3-2-4-12(14)8-11;5*1-4(6)3-5(2)7;;;;;/h2-13,15H,1H3;2-15,17H,1H3;2-11,13-15H;2,4-8,15H,9H2,1H3;2-7,15H,9H2,1H3;5*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyBEUIZIHVEZKBRN-UHFFFAOYSA-N
XLogP30.38
TPSA316.26 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms161
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003080.72
LogP ≤ 530.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum?
The IUPAC name of 3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum (CID 158449906) is 3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum.
What is the SMILES notation for 3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum?
The canonical SMILES for 3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CNCc1ccnc(-c2[c-]c(F)ccc2)c1.CNCc1ccnc(-c2[c-]ccc(F)c2)c1.Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)[c-]c(C(F)(F)F)c1.Cc1cc(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)[c-]c(C(F)(F)F)c1.[C-]#[N+]c1cc(C#N)[c-]c(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)c1.[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum?
The InChIKey is BEUIZIHVEZKBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N2.C25H18F3N2.C25H13N4.2C13H12FN2.5C5H8O2.5Pt/c1-16-12-17(14-18(13-16)25(26,27)28)22-15-19(10-11-29-22)30-23-8-4-2-6-20(23)21-7-3-5-9-24(21)30;1-18-14-19(16-20(15-18)25(26,27)28)24-17-23(12-13-29-24)30(21-8-4-2-5-9-21)22-10-6-3-7-11-22;1-27-19-13-17(16-26)12-18(14-19)23-15-20(10-11-28-23)29-24-8-4-2-6-21(24)22-7-3-5-9-25(22)29;2*1-15-9-10-5-6-16-13(7-10)11-3-2-4-12(14)8-11;5*1-4(6)3-5(2)7;;;;;/h2-13,15H,1H3;2-15,17H,1H3;2-11,13-15H;2,4-8,15H,9H2,1H3;2-7,15H,9H2,1H3;5*3,6H,1-2H3;;;;;/q5*-1;;;;;;;;;;.
What are the key properties of 3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum?
3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum has a molecular weight of 3080.72 g/mol, XLogP of 30.38, 19 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-yl-2-pyridinyl)-5-isocyanobenzene-2-ide-1-carbonitrile;1-[2-(3-fluorobenzene-2-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3-fluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(4-hydroxypent-3-en-2-one);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-N,N-diphenylpyridin-4-amine;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum is sourced from PubChem (CID 158449906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).