9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+)

C57H55N3O2Pt — CID 162503597

IUPAC9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+)
SMILESCc1c[c-]c(-n2c3ccccc3c3ccc(Oc4[c-]c(-c5cc6c(cn5)C(C)(C)C(C5CC(C)(C)CC(C)(C)C5)C6(C)C)c5oc6ccc7ccccc7c6c5c4)nc32)cc1C.[Pt+2]
InChIInChI=1S/C57H55N3O2.Pt/c1-33-19-21-37(25-34(33)2)60-47-18-14-13-17-40(47)41-22-24-49(59-53(41)60)61-38-26-42(51-43(27-38)50-39-16-12-11-15-35(39)20-23-48(50)62-51)46-28-44-45(31-58-46)57(9,10)52(56(44,7)8)36-29-54(3,4)32-55(5,6)30-36;/h11-20,22-25,27-28,31,36,52H,29-30,32H2,1-10H3;/q-2;+2
InChIKeySNJOBDDAGWNSAR-UHFFFAOYSA-N
MW1009.16 g/mol
LogP15.34
Rot. Bonds5

About 9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+)

9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+) (PubChem CID 162503597) has the molecular formula C57H55N3O2Pt and a molecular weight of 1009.16 g/mol. Its IUPAC name is 9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+).

Molecular Properties

Compound Name9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+)
PubChem CID162503597
Molecular FormulaC57H55N3O2Pt
Molecular Weight1009.16 g/mol
Exact Mass1008.39
IUPAC Name9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+)
SMILESCc1c[c-]c(-n2c3ccccc3c3ccc(Oc4[c-]c(-c5cc6c(cn5)C(C)(C)C(C5CC(C)(C)CC(C)(C)C5)C6(C)C)c5oc6ccc7ccccc7c6c5c4)nc32)cc1C.[Pt+2]
InChIInChI=1S/C57H55N3O2.Pt/c1-33-19-21-37(25-34(33)2)60-47-18-14-13-17-40(47)41-22-24-49(59-53(41)60)61-38-26-42(51-43(27-38)50-39-16-12-11-15-35(39)20-23-48(50)62-51)46-28-44-45(31-58-46)57(9,10)52(56(44,7)8)36-29-54(3,4)32-55(5,6)30-36;/h11-20,22-25,27-28,31,36,52H,29-30,32H2,1-10H3;/q-2;+2
InChIKeySNJOBDDAGWNSAR-UHFFFAOYSA-N
XLogP15.34
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.16
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+) with MolForge

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Launch Full Analysis

Related Compounds

2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 162503683
2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+)
CID 162503712
CID 176845142
CID 176845142
CID 171051732
CID 171051732
2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine;platinum(2+)
CID 162771247
9-(4-tert-butyl-2-pyridinyl)-2-[[7-phenyl-4-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)
CID 170543596
CID 162771228
CID 162771228
4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 162454640
CID 162771188
CID 162771188
CID 176651972
CID 176651972
15,18-dimethyl-13-oxa-1-aza-15-azoniaheptacyclo[14.12.0.02,14.03,12.04,9.017,22.023,28]octacosa-2(14),3(12),4,6,8,10,15,17,19,21,23,25,27-tridecaene
CID 177124588
CID 171051642
CID 171051642

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+)?
The IUPAC name of 9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+) (CID 162503597) is 9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+).
What is the SMILES notation for 9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+)?
The canonical SMILES for 9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+) is Cc1c[c-]c(-n2c3ccccc3c3ccc(Oc4[c-]c(-c5cc6c(cn5)C(C)(C)C(C5CC(C)(C)CC(C)(C)C5)C6(C)C)c5oc6ccc7ccccc7c6c5c4)nc32)cc1C.[Pt+2].
What is the InChIKey of 9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+)?
The InChIKey is SNJOBDDAGWNSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H55N3O2.Pt/c1-33-19-21-37(25-34(33)2)60-47-18-14-13-17-40(47)41-22-24-49(59-53(41)60)61-38-26-42(51-43(27-38)50-39-16-12-11-15-35(39)20-23-48(50)62-51)46-28-44-45(31-58-46)57(9,10)52(56(44,7)8)36-29-54(3,4)32-55(5,6)30-36;/h11-20,22-25,27-28,31,36,52H,29-30,32H2,1-10H3;/q-2;+2.
What are the key properties of 9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+)?
9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+) has a molecular weight of 1009.16 g/mol, XLogP of 15.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+) is sourced from PubChem (CID 162503597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).