[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))

C153H113B3N12O4Pt4S — CID 157239059

IUPAC[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))
SMILESCC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(B(c4[c-]c(Oc5ccccn5)ccc4)c4ccccc4)ccc3c3ccccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Sc4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccccc3n12.Cc1cnc2c3[c-]c(B(c4[c-]c(Oc5ccccn5)ccc4)c4ccccc4)ccc3c3ccccc3n12.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2ccccn2)cccc1B(c1[c-]c2c(cc1)c1ccccc1n1c(-c3ccccc3)cnc21)c1ccccc1
InChIInChI=1S/C44H36BN3O.C38H24BN3O.C38H31N3OS.C33H22BN3O.4Pt/c1-29(2)35-19-13-20-36(30(3)4)43(35)41-28-47-44-39-27-33(23-24-37(39)38-18-8-9-21-40(38)48(41)44)45(31-14-6-5-7-15-31)32-16-12-17-34(26-32)49-42-22-10-11-25-46-42;1-3-12-27(13-4-1)36-26-41-38-34-25-30(21-22-32(34)33-18-7-8-19-35(33)42(36)38)39(28-14-5-2-6-15-28)29-16-11-17-31(24-29)43-37-20-9-10-23-40-37;1-24(2)29-14-10-15-30(25(3)4)37(29)35-23-40-38-33-22-28(18-19-31(33)32-13-5-6-16-34(32)41(35)38)43-27-12-9-11-26(21-27)42-36-17-7-8-20-39-36;1-23-22-36-33-30-21-26(17-18-28(30)29-14-5-6-15-31(29)37(23)33)34(24-10-3-2-4-11-24)25-12-9-13-27(20-25)38-32-16-7-8-19-35-32;;;;/h5-25,28-30H,1-4H3;1-23,26H;5-20,23-25H,1-4H3;2-19,22H,1H3;;;;/q4*-2;4*+2
InChIKeyLPOWTUYARRBHAC-UHFFFAOYSA-N
MW3028.48 g/mol
LogP31.21
Rot. Bonds26

About [3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))

[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)) (PubChem CID 157239059) has the molecular formula C153H113B3N12O4Pt4S and a molecular weight of 3028.48 g/mol. Its IUPAC name is [3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)).

Molecular Properties

Compound Name[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))
PubChem CID157239059
Molecular FormulaC153H113B3N12O4Pt4S
Molecular Weight3028.48 g/mol
Exact Mass3026.76
IUPAC Name[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))
SMILESCC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(B(c4[c-]c(Oc5ccccn5)ccc4)c4ccccc4)ccc3c3ccccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Sc4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccccc3n12.Cc1cnc2c3[c-]c(B(c4[c-]c(Oc5ccccn5)ccc4)c4ccccc4)ccc3c3ccccc3n12.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2ccccn2)cccc1B(c1[c-]c2c(cc1)c1ccccc1n1c(-c3ccccc3)cnc21)c1ccccc1
InChIInChI=1S/C44H36BN3O.C38H24BN3O.C38H31N3OS.C33H22BN3O.4Pt/c1-29(2)35-19-13-20-36(30(3)4)43(35)41-28-47-44-39-27-33(23-24-37(39)38-18-8-9-21-40(38)48(41)44)45(31-14-6-5-7-15-31)32-16-12-17-34(26-32)49-42-22-10-11-25-46-42;1-3-12-27(13-4-1)36-26-41-38-34-25-30(21-22-32(34)33-18-7-8-19-35(33)42(36)38)39(28-14-5-2-6-15-28)29-16-11-17-31(24-29)43-37-20-9-10-23-40-37;1-24(2)29-14-10-15-30(25(3)4)37(29)35-23-40-38-33-22-28(18-19-31(33)32-13-5-6-16-34(32)41(35)38)43-27-12-9-11-26(21-27)42-36-17-7-8-20-39-36;1-23-22-36-33-30-21-26(17-18-28(30)29-14-5-6-15-31(29)37(23)33)34(24-10-3-2-4-11-24)25-12-9-13-27(20-25)38-32-16-7-8-19-35-32;;;;/h5-25,28-30H,1-4H3;1-23,26H;5-20,23-25H,1-4H3;2-19,22H,1H3;;;;/q4*-2;4*+2
InChIKeyLPOWTUYARRBHAC-UHFFFAOYSA-N
XLogP31.21
TPSA157.68 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003028.48
LogP ≤ 531.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze [3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))?
The IUPAC name of [3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)) (CID 157239059) is [3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)).
What is the SMILES notation for [3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))?
The canonical SMILES for [3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)) is CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(B(c4[c-]c(Oc5ccccn5)ccc4)c4ccccc4)ccc3c3ccccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Sc4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccccc3n12.Cc1cnc2c3[c-]c(B(c4[c-]c(Oc5ccccn5)ccc4)c4ccccc4)ccc3c3ccccc3n12.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2ccccn2)cccc1B(c1[c-]c2c(cc1)c1ccccc1n1c(-c3ccccc3)cnc21)c1ccccc1.
What is the InChIKey of [3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))?
The InChIKey is LPOWTUYARRBHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36BN3O.C38H24BN3O.C38H31N3OS.C33H22BN3O.4Pt/c1-29(2)35-19-13-20-36(30(3)4)43(35)41-28-47-44-39-27-33(23-24-37(39)38-18-8-9-21-40(38)48(41)44)45(31-14-6-5-7-15-31)32-16-12-17-34(26-32)49-42-22-10-11-25-46-42;1-3-12-27(13-4-1)36-26-41-38-34-25-30(21-22-32(34)33-18-7-8-19-35(33)42(36)38)39(28-14-5-2-6-15-28)29-16-11-17-31(24-29)43-37-20-9-10-23-40-37;1-24(2)29-14-10-15-30(25(3)4)37(29)35-23-40-38-33-22-28(18-19-31(33)32-13-5-6-16-34(32)41(35)38)43-27-12-9-11-26(21-27)42-36-17-7-8-20-39-36;1-23-22-36-33-30-21-26(17-18-28(30)29-14-5-6-15-31(29)37(23)33)34(24-10-3-2-4-11-24)25-12-9-13-27(20-25)38-32-16-7-8-19-35-32;;;;/h5-25,28-30H,1-4H3;1-23,26H;5-20,23-25H,1-4H3;2-19,22H,1H3;;;;/q4*-2;4*+2.
What are the key properties of [3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+))?
[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)) has a molecular weight of 3028.48 g/mol, XLogP of 31.21, 26 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;3-[2,6-di(propan-2-yl)phenyl]-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(3-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;phenyl-(3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;tetrakis(platinum(2+)) is sourced from PubChem (CID 157239059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).