2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+)

C54H42F6N6Pt — CID 58401818

IUPAC2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+)
SMILESCNCc1ccnc(-c2[c-]c(C(F)(F)F)cc(C)c2-n2c3ccccc3c3ccccc32)c1.Cc1[c-]c(-c2cc(N(C)C)ccn2)c(-n2c3ccccc3c3ccccc32)c(C(F)(F)F)c1.[Pt+2]
InChIInChI=1S/2C27H21F3N3.Pt/c1-17-14-21(23-16-18(32(2)3)12-13-31-23)26(22(15-17)27(28,29)30)33-24-10-6-4-8-19(24)20-9-5-7-11-25(20)33;1-17-13-19(27(28,29)30)15-22(23-14-18(16-31-2)11-12-32-23)26(17)33-24-9-5-3-7-20(24)21-8-4-6-10-25(21)33;/h4-13,15-16H,1-3H3;3-14,31H,16H2,1-2H3;/q2*-1;+2
InChIKeyMSBQOLDFHPYXDZ-UHFFFAOYSA-N
MW1084.04 g/mol
LogP13.73
Rot. Bonds7

About 2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+)

2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+) (PubChem CID 58401818) has the molecular formula C54H42F6N6Pt and a molecular weight of 1084.04 g/mol. Its IUPAC name is 2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+).

Molecular Properties

Compound Name2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+)
PubChem CID58401818
Molecular FormulaC54H42F6N6Pt
Molecular Weight1084.04 g/mol
Exact Mass1083.30
IUPAC Name2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+)
SMILESCNCc1ccnc(-c2[c-]c(C(F)(F)F)cc(C)c2-n2c3ccccc3c3ccccc32)c1.Cc1[c-]c(-c2cc(N(C)C)ccn2)c(-n2c3ccccc3c3ccccc32)c(C(F)(F)F)c1.[Pt+2]
InChIInChI=1S/2C27H21F3N3.Pt/c1-17-14-21(23-16-18(32(2)3)12-13-31-23)26(22(15-17)27(28,29)30)33-24-10-6-4-8-19(24)20-9-5-7-11-25(20)33;1-17-13-19(27(28,29)30)15-22(23-14-18(16-31-2)11-12-32-23)26(17)33-24-9-5-3-7-20(24)21-8-4-6-10-25(21)33;/h4-13,15-16H,1-3H3;3-14,31H,16H2,1-2H3;/q2*-1;+2
InChIKeyMSBQOLDFHPYXDZ-UHFFFAOYSA-N
XLogP13.73
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.04
LogP ≤ 513.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+) with MolForge

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Related Compounds

2-Methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186429
2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]-beta-carboline-2-ium diiodide
CID 46223339
2-Methyl-5-[7-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)heptyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186425
2-Methyl-5-[8-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)octyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186427
10,20-Bis(1-methylpyridin-1-ium-4-yl)-5,15-diphenyl-21,22-dihydroporphyrin diiodide
CID 136026482
5-Fluoro-3-{cis-4-[4-(1H-indol-4-yl)-1-piperazinyl]-cyclohexyl}-1-methyl-1H-indole
CID 10137577
1H-Indole-2-methanamine, 1-methyl-N-[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenyl]-
CID 45272392
1H-Indole-7-methanamine, 1-methyl-N-[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenyl]-
CID 45273258
1-Pentyl-3-[(1-pentylindol-1-ium-3-ylidene)-(1-pentylindol-3-yl)methyl]indole
CID 52948379
5-(9-Pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole
CID 122186421
2-methyl-5-[9-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)nonyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 122186442
US10174024, Example 77
CID 122689894

Frequently Asked Questions

What is the IUPAC name of 2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+)?
The IUPAC name of 2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+) (CID 58401818) is 2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+).
What is the SMILES notation for 2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+)?
The canonical SMILES for 2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+) is CNCc1ccnc(-c2[c-]c(C(F)(F)F)cc(C)c2-n2c3ccccc3c3ccccc32)c1.Cc1[c-]c(-c2cc(N(C)C)ccn2)c(-n2c3ccccc3c3ccccc32)c(C(F)(F)F)c1.[Pt+2].
What is the InChIKey of 2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+)?
The InChIKey is MSBQOLDFHPYXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H21F3N3.Pt/c1-17-14-21(23-16-18(32(2)3)12-13-31-23)26(22(15-17)27(28,29)30)33-24-10-6-4-8-19(24)20-9-5-7-11-25(20)33;1-17-13-19(27(28,29)30)15-22(23-14-18(16-31-2)11-12-32-23)26(17)33-24-9-5-3-7-20(24)21-8-4-6-10-25(21)33;/h4-13,15-16H,1-3H3;3-14,31H,16H2,1-2H3;/q2*-1;+2.
What are the key properties of 2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+)?
2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+) has a molecular weight of 1084.04 g/mol, XLogP of 13.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carbazol-9-yl-5-methyl-3-(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;1-[2-[2-carbazol-9-yl-3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;platinum(2+) is sourced from PubChem (CID 58401818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).