N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+)

C54H34N4O2Pt — CID 140881771

IUPACN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+)
SMILESCc1cc(-n2c3ccccc3c3ccccc32)cc(C)c1N(c1[c-]c(-c2cc3c(cn2)oc2ccccc23)ccc1)c1[c-]c(-c2cc3c(cn2)oc2ccccc23)ccc1.[Pt+2]
InChIInChI=1S/C54H34N4O2.Pt/c1-33-25-39(58-48-21-7-3-17-40(48)41-18-4-8-22-49(41)58)26-34(2)54(33)57(37-15-11-13-35(27-37)46-29-44-42-19-5-9-23-50(42)59-52(44)31-55-46)38-16-12-14-36(28-38)47-30-45-43-20-6-10-24-51(43)60-53(45)32-56-47;/h3-26,29-32H,1-2H3;/q-2;+2
InChIKeyAADMUWBGLRPYMN-UHFFFAOYSA-N
MW965.97 g/mol
LogP14.39
Rot. Bonds6

About N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+)

N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+) (PubChem CID 140881771) has the molecular formula C54H34N4O2Pt and a molecular weight of 965.97 g/mol. Its IUPAC name is N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+).

Molecular Properties

Compound NameN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+)
PubChem CID140881771
Molecular FormulaC54H34N4O2Pt
Molecular Weight965.97 g/mol
Exact Mass965.23
IUPAC NameN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+)
SMILESCc1cc(-n2c3ccccc3c3ccccc32)cc(C)c1N(c1[c-]c(-c2cc3c(cn2)oc2ccccc23)ccc1)c1[c-]c(-c2cc3c(cn2)oc2ccccc23)ccc1.[Pt+2]
InChIInChI=1S/C54H34N4O2.Pt/c1-33-25-39(58-48-21-7-3-17-40(48)41-18-4-8-22-49(41)58)26-34(2)54(33)57(37-15-11-13-35(27-37)46-29-44-42-19-5-9-23-50(42)59-52(44)31-55-46)38-16-12-14-36(28-38)47-30-45-43-20-6-10-24-51(43)60-53(45)32-56-47;/h3-26,29-32H,1-2H3;/q-2;+2
InChIKeyAADMUWBGLRPYMN-UHFFFAOYSA-N
XLogP14.39
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.97
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline
CID 135178307
N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-3-isoquinolin-3-yl-N-phenylbenzene-2-id-1-amine;N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-N-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-2-id-1-yl]naphthalen-1-amine;3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;tris(platinum(2+))
CID 160657018
4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline
CID 140908638
3-(3,5-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 140577687
9-dibenzofuran-2-yl-4-methylcarbazole
CID 134235790
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
9-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433742
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine
CID 140881767
9-[3-carbazol-9-yl-5-(2-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 155120118
11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole
CID 135178443
8-N,22-N-bis(3-carbazol-9-ylphenyl)-8-N,22-N-di(dibenzofuran-3-yl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 164999307

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+)?
The IUPAC name of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+) (CID 140881771) is N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+).
What is the SMILES notation for N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+)?
The canonical SMILES for N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+) is Cc1cc(-n2c3ccccc3c3ccccc32)cc(C)c1N(c1[c-]c(-c2cc3c(cn2)oc2ccccc23)ccc1)c1[c-]c(-c2cc3c(cn2)oc2ccccc23)ccc1.[Pt+2].
What is the InChIKey of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+)?
The InChIKey is AADMUWBGLRPYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O2.Pt/c1-33-25-39(58-48-21-7-3-17-40(48)41-18-4-8-22-49(41)58)26-34(2)54(33)57(37-15-11-13-35(27-37)46-29-44-42-19-5-9-23-50(42)59-52(44)31-55-46)38-16-12-14-36(28-38)47-30-45-43-20-6-10-24-51(43)60-53(45)32-56-47;/h3-26,29-32H,1-2H3;/q-2;+2.
What are the key properties of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+)?
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+) has a molecular weight of 965.97 g/mol, XLogP of 14.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+) is sourced from PubChem (CID 140881771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).