6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+)

C51H29N5O2Pt — CID 176645914

IUPAC6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cc2c(oc3c(-c4ccccc4)nc4ccccc4c32)c1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C51H29N5O2.Pt/c1-3-15-32(16-4-1)48-50-47(38-20-7-9-21-41(38)53-48)39-29-35(30-40(49(39)58-50)51-54-42-22-10-12-24-44(42)55(51)33-17-5-2-6-18-33)57-34-26-27-37-36-19-8-11-23-43(36)56(45(37)31-34)46-25-13-14-28-52-46;/h1-29H;/q-2;+2
InChIKeyXETJDHFYMACLHD-UHFFFAOYSA-N
MW938.90 g/mol
LogP12.69
Rot. Bonds6

About 6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+)

6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+) (PubChem CID 176645914) has the molecular formula C51H29N5O2Pt and a molecular weight of 938.90 g/mol. Its IUPAC name is 6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+).

Molecular Properties

Compound Name6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+)
PubChem CID176645914
Molecular FormulaC51H29N5O2Pt
Molecular Weight938.90 g/mol
Exact Mass938.20
IUPAC Name6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cc2c(oc3c(-c4ccccc4)nc4ccccc4c32)c1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C51H29N5O2.Pt/c1-3-15-32(16-4-1)48-50-47(38-20-7-9-21-41(38)53-48)39-29-35(30-40(49(39)58-50)51-54-42-22-10-12-24-44(42)55(51)33-17-5-2-6-18-33)57-34-26-27-37-36-19-8-11-23-43(36)56(45(37)31-34)46-25-13-14-28-52-46;/h1-29H;/q-2;+2
InChIKeyXETJDHFYMACLHD-UHFFFAOYSA-N
XLogP12.69
TPSA70.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.90
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+) with MolForge

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Related Compounds

CID 154610877
CID 154610877
9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)
CID 169301761
CID 170672584
CID 170672584
CID 162487067
CID 162487067
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085901
6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129086158
2-[3-(5,6-dimethylindazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 155606560
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841
CID 154611166
CID 154611166
CID 171051732
CID 171051732
CID 169301900
CID 169301900
14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123139

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+)?
The IUPAC name of 6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+) (CID 176645914) is 6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+).
What is the SMILES notation for 6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+)?
The canonical SMILES for 6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cc2c(oc3c(-c4ccccc4)nc4ccccc4c32)c1-c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+)?
The InChIKey is XETJDHFYMACLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N5O2.Pt/c1-3-15-32(16-4-1)48-50-47(38-20-7-9-21-41(38)53-48)39-29-35(30-40(49(39)58-50)51-54-42-22-10-12-24-44(42)55(51)33-17-5-2-6-18-33)57-34-26-27-37-36-19-8-11-23-43(36)56(45(37)31-34)46-25-13-14-28-52-46;/h1-29H;/q-2;+2.
What are the key properties of 6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+)?
6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+) has a molecular weight of 938.90 g/mol, XLogP of 12.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+) is sourced from PubChem (CID 176645914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).