1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)

C55H38F3N5OPt — CID 176643413

IUPAC1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
SMILESCc1cc(-c2nc3c(-c4[c-]c5c(cc4)c4cc(C(F)(F)F)ccc4n5-c4nccc5c4oc4ccccc45)cc(C)cc3n2-c2ccccc2)c2[n-]c3cccc(C(C)(C)C)c3c2c1.[Pt+2]
InChIInChI=1S/C55H38F3N5O.Pt/c1-30-25-40-48-42(54(3,4)5)15-11-16-43(48)60-49(40)41(26-30)52-61-50-38(24-31(2)27-46(50)62(52)34-12-7-6-8-13-34)32-18-20-35-39-29-33(55(56,57)58)19-21-44(39)63(45(35)28-32)53-51-37(22-23-59-53)36-14-9-10-17-47(36)64-51;/h6-27,29H,1-5H3;/q-2;+2
InChIKeyFICYYGHTRDRKOZ-UHFFFAOYSA-N
MW1037.01 g/mol
LogP14.75
Rot. Bonds4

About 1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)

1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) (PubChem CID 176643413) has the molecular formula C55H38F3N5OPt and a molecular weight of 1037.01 g/mol. Its IUPAC name is 1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+).

Molecular Properties

Compound Name1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
PubChem CID176643413
Molecular FormulaC55H38F3N5OPt
Molecular Weight1037.01 g/mol
Exact Mass1036.27
IUPAC Name1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)
SMILESCc1cc(-c2nc3c(-c4[c-]c5c(cc4)c4cc(C(F)(F)F)ccc4n5-c4nccc5c4oc4ccccc45)cc(C)cc3n2-c2ccccc2)c2[n-]c3cccc(C(C)(C)C)c3c2c1.[Pt+2]
InChIInChI=1S/C55H38F3N5O.Pt/c1-30-25-40-48-42(54(3,4)5)15-11-16-43(48)60-49(40)41(26-30)52-61-50-38(24-31(2)27-46(50)62(52)34-12-7-6-8-13-34)32-18-20-35-39-29-33(55(56,57)58)19-21-44(39)63(45(35)28-32)53-51-37(22-23-59-53)36-14-9-10-17-47(36)64-51;/h6-27,29H,1-5H3;/q-2;+2
InChIKeyFICYYGHTRDRKOZ-UHFFFAOYSA-N
XLogP14.75
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.01
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenyl)-2-(quinolin-6-yl)benzo[d]oxazole
CID 90257208
7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium
CID 59358466
7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum
CID 59359359
14-[[9-Methyl-1-[1-[2-[2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]ethyl]quinolin-1-ium-2-yl]carbazol-2-yl]methyl]-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123762706
22-Methyl-14-[[9-methyl-1-[1-[2-[2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]ethyl]quinolin-1-ium-2-yl]carbazol-2-yl]methyl]-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123931074
9-(8-Carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole
CID 134343668
N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)phenyl]-4,6-dimethylpyrimidin-5-amine
CID 137538121
7-[1-[5-[1-[8-Tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-methylpropan-2-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpropan-2-yl]-2-pyridin-3-yl-1,3-benzoxazole
CID 139382904
2-[3-[3-[[2-(Difluoromethyl)-7-(pyrrolidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[(3-methylidenepyrrolidin-1-yl)methyl]-1,3-benzoxazole-7-carbonitrile
CID 139551461
2-[3-[3-[[6-(Difluoromethyl)-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-benzoxazole-7-carbonitrile
CID 139551481
2-[2-Methyl-3-[2-methyl-3-[[7-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]phenyl]-5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-benzoxazole-7-carbonitrile
CID 139551495
(2S,4R)-N-[8-[5-[[3-acetyl-1-[2-[(2S,4R)-4-fluoro-2-[(5-phenylmethoxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]amino]pyrimidin-2-yl]naphthalen-2-yl]-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 144912177

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?
The IUPAC name of 1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) (CID 176643413) is 1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+).
What is the SMILES notation for 1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?
The canonical SMILES for 1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) is Cc1cc(-c2nc3c(-c4[c-]c5c(cc4)c4cc(C(F)(F)F)ccc4n5-c4nccc5c4oc4ccccc45)cc(C)cc3n2-c2ccccc2)c2[n-]c3cccc(C(C)(C)C)c3c2c1.[Pt+2].
What is the InChIKey of 1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?
The InChIKey is FICYYGHTRDRKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38F3N5O.Pt/c1-30-25-40-48-42(54(3,4)5)15-11-16-43(48)60-49(40)41(26-30)52-61-50-38(24-31(2)27-46(50)62(52)34-12-7-6-8-13-34)32-18-20-35-39-29-33(55(56,57)58)19-21-44(39)63(45(35)28-32)53-51-37(22-23-59-53)36-14-9-10-17-47(36)64-51;/h6-27,29H,1-5H3;/q-2;+2.
What are the key properties of 1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+)?
1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) has a molecular weight of 1037.01 g/mol, XLogP of 14.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(5-tert-butyl-3-methylcarbazol-9-id-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum(2+) is sourced from PubChem (CID 176643413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).