9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)

C59H51N5Pt — CID 170934702

IUPAC9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)
SMILESCc1cc(C2=N[C@](C)(C(c3ccccc3)c3ccccc3)C(C)(C)N2c2c(C)cccc2C)[c-]c(-n2c3[c-]c(-n4c5ccc(C)cc5c5cccnc54)ccc3c3cc(C)ccc32)c1.[Pt+2]
InChIInChI=1S/C59H51N5.Pt/c1-37-24-28-51-49(33-37)47-27-26-45(63-52-29-25-38(2)34-50(52)48-23-16-30-60-57(48)63)36-53(47)62(51)46-32-39(3)31-44(35-46)56-61-59(8,58(6,7)64(56)55-40(4)17-15-18-41(55)5)54(42-19-11-9-12-20-42)43-21-13-10-14-22-43;/h9-34,54H,1-8H3;/q-2;+2/t59-;/m1./s1
InChIKeyLQGFKUBBZWDKPI-ZOVJXLMBSA-N
MW1025.17 g/mol
LogP14.05
Rot. Bonds7

About 9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)

9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+) (PubChem CID 170934702) has the molecular formula C59H51N5Pt and a molecular weight of 1025.17 g/mol. Its IUPAC name is 9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+).

Molecular Properties

Compound Name9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)
PubChem CID170934702
Molecular FormulaC59H51N5Pt
Molecular Weight1025.17 g/mol
Exact Mass1024.38
IUPAC Name9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)
SMILESCc1cc(C2=N[C@](C)(C(c3ccccc3)c3ccccc3)C(C)(C)N2c2c(C)cccc2C)[c-]c(-n2c3[c-]c(-n4c5ccc(C)cc5c5cccnc54)ccc3c3cc(C)ccc32)c1.[Pt+2]
InChIInChI=1S/C59H51N5.Pt/c1-37-24-28-51-49(33-37)47-27-26-45(63-52-29-25-38(2)34-50(52)48-23-16-30-60-57(48)63)36-53(47)62(51)46-32-39(3)31-44(35-46)56-61-59(8,58(6,7)64(56)55-40(4)17-15-18-41(55)5)54(42-19-11-9-12-20-42)43-21-13-10-14-22-43;/h9-34,54H,1-8H3;/q-2;+2/t59-;/m1./s1
InChIKeyLQGFKUBBZWDKPI-ZOVJXLMBSA-N
XLogP14.05
TPSA38.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.17
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+) with MolForge

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Related Compounds

9-[3-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)
CID 170933264
9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 170934355
(3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)
CID 170932323
(3aR,6aS)-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole;platinum(2+)
CID 170933834
(1S,9R)-11-[3-tert-butyl-5-[6-methyl-2-(6-phenylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-5,6,9,19-tetramethyl-14-propan-2-yl-10,12-diazapentacyclo[10.8.0.01,9.03,8.013,18]icosa-3(8),4,6,10,13(18),14,16-heptaene;platinum(2+)
CID 170935560
(4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+)
CID 170934803
(3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)
CID 170932571
17-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylphenoxy]-13,13,16-trimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 170932888
9-[9-[3-[(5R)-3-(3,5-ditert-butylphenyl)-5-(2,4-dimethylpentan-3-yl)-5-methyl-4H-imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-3,6-dimethyl-1H-carbazol-1-id-2-yl]-6-phenylpyrido[2,3-b]indole;platinum(2+)
CID 170934458
(3aR,9aS)-3a,4,4,5,7-pentamethyl-2-[6-methyl-2-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]-3H-pyridin-3-id-4-yl]-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+)
CID 170932492
CID 155773497
CID 155773497
(3aS,7aS)-2-[3-tert-butyl-5-[3,6-dimethyl-2-(6-phenylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3a,7a-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;platinum(2+)
CID 170934543

Frequently Asked Questions

What is the IUPAC name of 9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)?
The IUPAC name of 9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+) (CID 170934702) is 9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+).
What is the SMILES notation for 9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)?
The canonical SMILES for 9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+) is Cc1cc(C2=N[C@](C)(C(c3ccccc3)c3ccccc3)C(C)(C)N2c2c(C)cccc2C)[c-]c(-n2c3[c-]c(-n4c5ccc(C)cc5c5cccnc54)ccc3c3cc(C)ccc32)c1.[Pt+2].
What is the InChIKey of 9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)?
The InChIKey is LQGFKUBBZWDKPI-ZOVJXLMBSA-N. The full InChI is InChI=1S/C59H51N5.Pt/c1-37-24-28-51-49(33-37)47-27-26-45(63-52-29-25-38(2)34-50(52)48-23-16-30-60-57(48)63)36-53(47)62(51)46-32-39(3)31-44(35-46)56-61-59(8,58(6,7)64(56)55-40(4)17-15-18-41(55)5)54(42-19-11-9-12-20-42)43-21-13-10-14-22-43;/h9-34,54H,1-8H3;/q-2;+2/t59-;/m1./s1.
What are the key properties of 9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)?
9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+) has a molecular weight of 1025.17 g/mol, XLogP of 14.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+) is sourced from PubChem (CID 170934702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).