bis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)

C74H68B2N4Pt — CID 59459712

IUPACbis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c[c-]c2c(c1)B(c1c(C(C)C)cccc1C(C)C)c1cccnc1-2.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c[c-]c2c(c1)B(c1c(C(C)C)cccc1C(C)C)c1cccnc1-2.[Pt+2]
InChIInChI=1S/2C37H34BN2.Pt/c2*1-22(2)27-9-7-10-28(23(3)4)36(27)38-32-11-8-18-39-37(32)29-15-14-26(21-33(29)38)40-34-16-12-24(5)19-30(34)31-20-25(6)13-17-35(31)40;/h2*7-14,16-23H,1-6H3;/q2*-1;+2
InChIKeyYVLRTUQHODDSMJ-UHFFFAOYSA-N
MW1230.09 g/mol
LogP14.68
Rot. Bonds8

About bis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)

bis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) (PubChem CID 59459712) has the molecular formula C74H68B2N4Pt and a molecular weight of 1230.09 g/mol. Its IUPAC name is bis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+).

Molecular Properties

Compound Namebis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)
PubChem CID59459712
Molecular FormulaC74H68B2N4Pt
Molecular Weight1230.09 g/mol
Exact Mass1229.53
IUPAC Namebis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c[c-]c2c(c1)B(c1c(C(C)C)cccc1C(C)C)c1cccnc1-2.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c[c-]c2c(c1)B(c1c(C(C)C)cccc1C(C)C)c1cccnc1-2.[Pt+2]
InChIInChI=1S/2C37H34BN2.Pt/c2*1-22(2)27-9-7-10-28(23(3)4)36(27)38-32-11-8-18-39-37(32)29-15-14-26(21-33(29)38)40-34-16-12-24(5)19-30(34)31-20-25(6)13-17-35(31)40;/h2*7-14,16-23H,1-6H3;/q2*-1;+2
InChIKeyYVLRTUQHODDSMJ-UHFFFAOYSA-N
XLogP14.68
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001230.09
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]-beta-carboline-2-ium diiodide
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2-Methyl-5-[8-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)octyl]pyrido[4,3-b]indol-2-ium diiodide
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1-Pentyl-3-[(1-pentylindol-1-ium-3-ylidene)-(1-pentylindol-3-yl)methyl]indole
CID 52948379
5-(9-Pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole
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3,3'-(2-pyridinylmethylene)bis(1-methyl-1H-indole)
CID 2948951
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1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole
CID 71508687
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CID 122186433
2-Propyl-5-[9-(2-propylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186437
9-Methyl-3-[1-(2-methyl-4-pyridinyl)ethenyl]carbazole
CID 155564185
2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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Frequently Asked Questions

What is the IUPAC name of bis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)?
The IUPAC name of bis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) (CID 59459712) is bis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+).
What is the SMILES notation for bis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)?
The canonical SMILES for bis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c[c-]c2c(c1)B(c1c(C(C)C)cccc1C(C)C)c1cccnc1-2.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c[c-]c2c(c1)B(c1c(C(C)C)cccc1C(C)C)c1cccnc1-2.[Pt+2].
What is the InChIKey of bis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)?
The InChIKey is YVLRTUQHODDSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H34BN2.Pt/c2*1-22(2)27-9-7-10-28(23(3)4)36(27)38-32-11-8-18-39-37(32)29-15-14-26(21-33(29)38)40-34-16-12-24(5)19-30(34)31-20-25(6)13-17-35(31)40;/h2*7-14,16-23H,1-6H3;/q2*-1;+2.
What are the key properties of bis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+)?
bis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) has a molecular weight of 1230.09 g/mol, XLogP of 14.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);platinum(2+) is sourced from PubChem (CID 59459712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).