CID 161487027

C382H273N40O5Pt9Si-9 — CID 161487027

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(N(c4ccccc4)c4ccc5c6ccccc6n(-c6[c-]cccc6)c5n4)ccc3c3ccccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Oc4ccc5c6ccccc6n(-c6[c-]cccc6)c5n4)ccc3c3ccccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Oc4cccc(Oc5[c-]cccc5)n4)ccc3c3ccccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c([Si](c4ccccc4)(c4ccccc4)c4ccc5c6ccccc6n(-c6[c-]cccc6)c5n4)ccc3c3ccccc3n12.CN1C=CN(c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n3c5ccccc5nc43)c3ccccc3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n3c5ccccc5nc43)c3ccccc3)ccc2)c2ccccc21.CN1[CH-]N(c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n3c5ccccc5nc43)c3ccccc3)ccc2)c2cccnc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[c-]1ccccc1-n1c2ccccc2c2ccc(Oc3[c-]c4c(cc3)c3ccccc3n3c(-c5c(-c6ccccc6)cccc5-c5ccccc5)cnc43)nc21.[c-]1ccccc1Oc1cccc(N(c2[c-]c3c(cc2)c2ccccc2n2ccnc32)c2ccccc2)n1
InChIInChI=1S/C56H44N4Si.C50H39N5.C50H30N4O.C44H34N4O.C39H26N5.C38H25N6.C38H31N3O2.C35H24N5.C32H20N4O.9Pt/c1-37(2)43-27-18-28-44(38(3)4)54(43)52-36-57-55-49-35-42(31-32-45(49)46-25-14-17-30-51(46)60(52)55)61(40-21-10-6-11-22-40,41-23-12-7-13-24-41)53-34-33-48-47-26-15-16-29-50(47)59(56(48)58-53)39-19-8-5-9-20-39;1-32(2)37-22-15-23-38(33(3)4)48(37)46-31-51-49-43-30-36(26-27-39(43)40-20-11-14-25-45(40)55(46)49)53(34-16-7-5-8-17-34)47-29-28-42-41-21-12-13-24-44(41)54(50(42)52-47)35-18-9-6-10-19-35;1-4-15-33(16-5-1)37-23-14-24-38(34-17-6-2-7-18-34)48(37)46-32-51-49-43-31-36(27-28-39(43)40-21-10-13-26-45(40)54(46)49)55-47-30-29-42-41-22-11-12-25-44(41)53(50(42)52-47)35-19-8-3-9-20-35;1-27(2)31-17-12-18-32(28(3)4)42(31)40-26-45-43-37-25-30(21-22-33(37)34-15-8-11-20-39(34)48(40)43)49-41-24-23-36-35-16-9-10-19-38(35)47(44(36)46-41)29-13-6-5-7-14-29;1-41-26-42(38-21-10-9-20-37(38)41)28-14-11-15-29(24-28)43(27-12-3-2-4-13-27)30-22-23-31-32-16-5-7-18-35(32)44-36-19-8-6-17-34(36)40-39(44)33(31)25-30;1-41-25-42(36-19-10-22-39-38(36)41)27-13-9-14-28(23-27)43(26-11-3-2-4-12-26)29-20-21-30-31-15-5-7-17-34(31)44-35-18-8-6-16-33(35)40-37(44)32(30)24-29;1-24(2)28-15-10-16-29(25(3)4)37(28)34-23-39-38-32-22-27(20-21-30(32)31-14-8-9-17-33(31)41(34)38)43-36-19-11-18-35(40-36)42-26-12-6-5-7-13-26;1-37-20-21-38(24-37)26-12-9-13-27(22-26)39(25-10-3-2-4-11-25)28-18-19-29-30-14-5-7-16-33(30)40-34-17-8-6-15-32(34)36-35(40)31(29)23-28;1-3-10-23(11-4-1)36(30-16-9-17-31(34-30)37-25-12-5-2-6-13-25)24-18-19-26-27-14-7-8-15-29(27)35-21-20-33-32(35)28(26)22-24;;;;;;;;;/h5-19,21-34,36-38H,1-4H3;5-18,20-29,31-33H,1-4H3;1-19,21-30,32H;5-13,15-24,26-28H,1-4H3;2-23,26H,1H3;2-22,25H,1H3;5-12,14-21,23-25H,1-4H3;2-21,24H,1H3;1-12,14-21H;;;;;;;;;/q4*-2;2*-3;-2;-3;-2;;;;6*+2
InChIKeyKQMCKIDHJWGTLV-UHFFFAOYSA-N
MW7287.45 g/mol
LogP92.86
Rot. Bonds51

About CID 161487027

CID 161487027 (PubChem CID 161487027) has the molecular formula C382H273N40O5Pt9Si-9 and a molecular weight of 7287.45 g/mol.

Molecular Properties

Compound NameCID 161487027
PubChem CID161487027
Molecular FormulaC382H273N40O5Pt9Si-9
Molecular Weight7287.45 g/mol
Exact Mass7281.90
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(N(c4ccccc4)c4ccc5c6ccccc6n(-c6[c-]cccc6)c5n4)ccc3c3ccccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Oc4ccc5c6ccccc6n(-c6[c-]cccc6)c5n4)ccc3c3ccccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Oc4cccc(Oc5[c-]cccc5)n4)ccc3c3ccccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c([Si](c4ccccc4)(c4ccccc4)c4ccc5c6ccccc6n(-c6[c-]cccc6)c5n4)ccc3c3ccccc3n12.CN1C=CN(c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n3c5ccccc5nc43)c3ccccc3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n3c5ccccc5nc43)c3ccccc3)ccc2)c2ccccc21.CN1[CH-]N(c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n3c5ccccc5nc43)c3ccccc3)ccc2)c2cccnc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[c-]1ccccc1-n1c2ccccc2c2ccc(Oc3[c-]c4c(cc3)c3ccccc3n3c(-c5c(-c6ccccc6)cccc5-c5ccccc5)cnc43)nc21.[c-]1ccccc1Oc1cccc(N(c2[c-]c3c(cc2)c2ccccc2n2ccnc32)c2ccccc2)n1
InChIInChI=1S/C56H44N4Si.C50H39N5.C50H30N4O.C44H34N4O.C39H26N5.C38H25N6.C38H31N3O2.C35H24N5.C32H20N4O.9Pt/c1-37(2)43-27-18-28-44(38(3)4)54(43)52-36-57-55-49-35-42(31-32-45(49)46-25-14-17-30-51(46)60(52)55)61(40-21-10-6-11-22-40,41-23-12-7-13-24-41)53-34-33-48-47-26-15-16-29-50(47)59(56(48)58-53)39-19-8-5-9-20-39;1-32(2)37-22-15-23-38(33(3)4)48(37)46-31-51-49-43-30-36(26-27-39(43)40-20-11-14-25-45(40)55(46)49)53(34-16-7-5-8-17-34)47-29-28-42-41-21-12-13-24-44(41)54(50(42)52-47)35-18-9-6-10-19-35;1-4-15-33(16-5-1)37-23-14-24-38(34-17-6-2-7-18-34)48(37)46-32-51-49-43-31-36(27-28-39(43)40-21-10-13-26-45(40)54(46)49)55-47-30-29-42-41-22-11-12-25-44(41)53(50(42)52-47)35-19-8-3-9-20-35;1-27(2)31-17-12-18-32(28(3)4)42(31)40-26-45-43-37-25-30(21-22-33(37)34-15-8-11-20-39(34)48(40)43)49-41-24-23-36-35-16-9-10-19-38(35)47(44(36)46-41)29-13-6-5-7-14-29;1-41-26-42(38-21-10-9-20-37(38)41)28-14-11-15-29(24-28)43(27-12-3-2-4-13-27)30-22-23-31-32-16-5-7-18-35(32)44-36-19-8-6-17-34(36)40-39(44)33(31)25-30;1-41-25-42(36-19-10-22-39-38(36)41)27-13-9-14-28(23-27)43(26-11-3-2-4-12-26)29-20-21-30-31-15-5-7-17-34(31)44-35-18-8-6-16-33(35)40-37(44)32(30)24-29;1-24(2)28-15-10-16-29(25(3)4)37(28)34-23-39-38-32-22-27(20-21-30(32)31-14-8-9-17-33(31)41(34)38)43-36-19-11-18-35(40-36)42-26-12-6-5-7-13-26;1-37-20-21-38(24-37)26-12-9-13-27(22-26)39(25-10-3-2-4-11-25)28-18-19-29-30-14-5-7-16-33(30)40-34-17-8-6-15-32(34)36-35(40)31(29)23-28;1-3-10-23(11-4-1)36(30-16-9-17-31(34-30)37-25-12-5-2-6-13-25)24-18-19-26-27-14-7-8-15-29(27)35-21-20-33-32(35)28(26)22-24;;;;;;;;;/h5-19,21-34,36-38H,1-4H3;5-18,20-29,31-33H,1-4H3;1-19,21-30,32H;5-13,15-24,26-28H,1-4H3;2-23,26H,1H3;2-22,25H,1H3;5-12,14-21,23-25H,1-4H3;2-21,24H,1H3;1-12,14-21H;;;;;;;;;/q4*-2;2*-3;-2;-3;-2;;;;6*+2
InChIKeyKQMCKIDHJWGTLV-UHFFFAOYSA-N
XLogP92.86
TPSA347.44 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds51
Heavy Atoms437
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007287.45
LogP ≤ 592.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

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Related Compounds

[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-diphenylsilane;3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-diphenylmethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;11-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;11-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-methyl-11-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum;bis(platinum(2+))
CID 157086534
3-[2,6-bis(2-methylpropyl)phenyl]-11-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-11-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-11-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;11-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;11-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum
CID 159485771
3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-N-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-amine;3-[2,6-di(propan-2-yl)phenyl]-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-N-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-amine;N-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-N,3-diphenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-amine;platinum
CID 157375450
CID 159683624
CID 159683624
3-(2,6-dimethylphenyl)-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;3-N-(4,5-dimethyl-2-pyridinyl)-1-N-[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-1-N,3-N-diphenylbenzene-2-ide-1,3-diamine;1-N-[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-1-N,3-N-diphenyl-3-N-(4-propan-2-yl-2-pyridinyl)benzene-2-ide-1,3-diamine;tetrakis(platinum(2+));3-propan-2-yl-11-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 161260869
3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 140593918
diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+)
CID 153411538
11-[2-(1H-carbazol-1-id-9-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]oxy-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;11-[diphenyl-(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-11-[2-(3-phenyl-2H-imidazol-2-id-1-yl)propan-2-yl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum;platinum(2+)
CID 159155896
CID 162234672
CID 162234672
2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 164704735
3-[2,6-di(propan-2-yl)phenyl]-11-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-11-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]sulfanyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]-diphenylmethyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]-diphenylsilane;tetrakis(platinum(2+))
CID 157319875
CID 154610649
CID 154610649

Frequently Asked Questions

What is the IUPAC name of CID 161487027?
The IUPAC name of CID 161487027 (CID 161487027) is not available.
What is the SMILES notation for CID 161487027?
The canonical SMILES for CID 161487027 is CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(N(c4ccccc4)c4ccc5c6ccccc6n(-c6[c-]cccc6)c5n4)ccc3c3ccccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Oc4ccc5c6ccccc6n(-c6[c-]cccc6)c5n4)ccc3c3ccccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Oc4cccc(Oc5[c-]cccc5)n4)ccc3c3ccccc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c([Si](c4ccccc4)(c4ccccc4)c4ccc5c6ccccc6n(-c6[c-]cccc6)c5n4)ccc3c3ccccc3n12.CN1C=CN(c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n3c5ccccc5nc43)c3ccccc3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n3c5ccccc5nc43)c3ccccc3)ccc2)c2ccccc21.CN1[CH-]N(c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n3c5ccccc5nc43)c3ccccc3)ccc2)c2cccnc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[c-]1ccccc1-n1c2ccccc2c2ccc(Oc3[c-]c4c(cc3)c3ccccc3n3c(-c5c(-c6ccccc6)cccc5-c5ccccc5)cnc43)nc21.[c-]1ccccc1Oc1cccc(N(c2[c-]c3c(cc2)c2ccccc2n2ccnc32)c2ccccc2)n1.
What is the InChIKey of CID 161487027?
The InChIKey is KQMCKIDHJWGTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N4Si.C50H39N5.C50H30N4O.C44H34N4O.C39H26N5.C38H25N6.C38H31N3O2.C35H24N5.C32H20N4O.9Pt/c1-37(2)43-27-18-28-44(38(3)4)54(43)52-36-57-55-49-35-42(31-32-45(49)46-25-14-17-30-51(46)60(52)55)61(40-21-10-6-11-22-40,41-23-12-7-13-24-41)53-34-33-48-47-26-15-16-29-50(47)59(56(48)58-53)39-19-8-5-9-20-39;1-32(2)37-22-15-23-38(33(3)4)48(37)46-31-51-49-43-30-36(26-27-39(43)40-20-11-14-25-45(40)55(46)49)53(34-16-7-5-8-17-34)47-29-28-42-41-21-12-13-24-44(41)54(50(42)52-47)35-18-9-6-10-19-35;1-4-15-33(16-5-1)37-23-14-24-38(34-17-6-2-7-18-34)48(37)46-32-51-49-43-31-36(27-28-39(43)40-21-10-13-26-45(40)54(46)49)55-47-30-29-42-41-22-11-12-25-44(41)53(50(42)52-47)35-19-8-3-9-20-35;1-27(2)31-17-12-18-32(28(3)4)42(31)40-26-45-43-37-25-30(21-22-33(37)34-15-8-11-20-39(34)48(40)43)49-41-24-23-36-35-16-9-10-19-38(35)47(44(36)46-41)29-13-6-5-7-14-29;1-41-26-42(38-21-10-9-20-37(38)41)28-14-11-15-29(24-28)43(27-12-3-2-4-13-27)30-22-23-31-32-16-5-7-18-35(32)44-36-19-8-6-17-34(36)40-39(44)33(31)25-30;1-41-25-42(36-19-10-22-39-38(36)41)27-13-9-14-28(23-27)43(26-11-3-2-4-12-26)29-20-21-30-31-15-5-7-17-34(31)44-35-18-8-6-16-33(35)40-37(44)32(30)24-29;1-24(2)28-15-10-16-29(25(3)4)37(28)34-23-39-38-32-22-27(20-21-30(32)31-14-8-9-17-33(31)41(34)38)43-36-19-11-18-35(40-36)42-26-12-6-5-7-13-26;1-37-20-21-38(24-37)26-12-9-13-27(22-26)39(25-10-3-2-4-11-25)28-18-19-29-30-14-5-7-16-33(30)40-34-17-8-6-15-32(34)36-35(40)31(29)23-28;1-3-10-23(11-4-1)36(30-16-9-17-31(34-30)37-25-12-5-2-6-13-25)24-18-19-26-27-14-7-8-15-29(27)35-21-20-33-32(35)28(26)22-24;;;;;;;;;/h5-19,21-34,36-38H,1-4H3;5-18,20-29,31-33H,1-4H3;1-19,21-30,32H;5-13,15-24,26-28H,1-4H3;2-23,26H,1H3;2-22,25H,1H3;5-12,14-21,23-25H,1-4H3;2-21,24H,1H3;1-12,14-21H;;;;;;;;;/q4*-2;2*-3;-2;-3;-2;;;;6*+2.
What are the key properties of CID 161487027?
CID 161487027 has a molecular weight of 7287.45 g/mol, XLogP of 92.86, 51 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161487027 is sourced from PubChem (CID 161487027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).