CID 163789378

C260H175N31O6Pt6 — CID 163789378

IUPAC—
SMILESCc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5c(-c7c(C)cc(C)cc7C)cnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5c(-c7ccccc7)c(-c7ccccc7)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5c(-c7ccccc7)cnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5cc(-c7ccccc7)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5ccnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5cccnc5n5ccnc65)[c-]c4c3n2)c(C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C50H33N5O.C47H35N5O.2C44H29N5O.C38H25N5O.C37H24N6O.6Pt/c1-30-25-31(2)45(32(3)26-30)42-29-54-44-19-12-24-51-47(44)39-23-21-36(28-41(39)49(54)52-42)56-35-20-22-37-38-17-10-11-18-43(38)55-48(34-15-8-5-9-16-34)46(33-13-6-4-7-14-33)53-50(55)40(37)27-35;1-26-18-28(3)43(29(4)19-26)39-25-51-41-12-9-17-48-45(41)36-16-14-33(23-38(36)47(51)50-39)53-32-13-15-34-35-10-7-8-11-40(35)52-42(24-49-46(52)37(34)22-32)44-30(5)20-27(2)21-31(44)6;1-26-20-27(2)41(28(3)21-26)37-25-48-39-14-9-19-45-42(39)34-18-16-31(23-36(34)44(48)47-37)50-30-15-17-32-33-12-7-8-13-38(33)49-40(29-10-5-4-6-11-29)24-46-43(49)35(32)22-30;1-26-20-27(2)41(28(3)21-26)38-25-49-40-14-9-19-45-42(40)34-18-16-31(23-36(34)44(49)47-38)50-30-15-17-32-33-12-7-8-13-39(33)48-24-37(29-10-5-4-6-11-29)46-43(48)35(32)22-30;1-22-17-23(2)35(24(3)18-22)32-21-43-34-9-6-14-39-36(34)29-13-11-26(20-31(29)38(43)41-32)44-25-10-12-27-28-7-4-5-8-33(28)42-16-15-40-37(42)30(27)19-25;1-21-16-22(2)33(23(3)17-21)31-20-43-32-7-5-12-38-34(32)27-11-9-25(19-30(27)37(43)41-31)44-24-8-10-26-28-6-4-13-39-35(28)42-15-14-40-36(42)29(26)18-24;;;;;;/h4-26,29H,1-3H3;7-21,24-25H,1-6H3;2*4-21,24-25H,1-3H3;4-18,21H,1-3H3;4-17,20H,1-3H3;;;;;;/q6*-2;6*+2
InChIKeyUWVNCGKCTJMSBW-UHFFFAOYSA-N
MW4999.94 g/mol
LogP62.49
Rot. Bonds23

About CID 163789378

CID 163789378 (PubChem CID 163789378) has the molecular formula C260H175N31O6Pt6 and a molecular weight of 4999.94 g/mol.

Molecular Properties

Compound NameCID 163789378
PubChem CID163789378
Molecular FormulaC260H175N31O6Pt6
Molecular Weight4999.94 g/mol
Exact Mass4996.22
IUPAC Name—
SMILESCc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5c(-c7c(C)cc(C)cc7C)cnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5c(-c7ccccc7)c(-c7ccccc7)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5c(-c7ccccc7)cnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5cc(-c7ccccc7)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5ccnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5cccnc5n5ccnc65)[c-]c4c3n2)c(C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C50H33N5O.C47H35N5O.2C44H29N5O.C38H25N5O.C37H24N6O.6Pt/c1-30-25-31(2)45(32(3)26-30)42-29-54-44-19-12-24-51-47(44)39-23-21-36(28-41(39)49(54)52-42)56-35-20-22-37-38-17-10-11-18-43(38)55-48(34-15-8-5-9-16-34)46(33-13-6-4-7-14-33)53-50(55)40(37)27-35;1-26-18-28(3)43(29(4)19-26)39-25-51-41-12-9-17-48-45(41)36-16-14-33(23-38(36)47(51)50-39)53-32-13-15-34-35-10-7-8-11-40(35)52-42(24-49-46(52)37(34)22-32)44-30(5)20-27(2)21-31(44)6;1-26-20-27(2)41(28(3)21-26)37-25-48-39-14-9-19-45-42(39)34-18-16-31(23-36(34)44(48)47-37)50-30-15-17-32-33-12-7-8-13-38(33)49-40(29-10-5-4-6-11-29)24-46-43(49)35(32)22-30;1-26-20-27(2)41(28(3)21-26)38-25-49-40-14-9-19-45-42(40)34-18-16-31(23-36(34)44(49)47-38)50-30-15-17-32-33-12-7-8-13-39(33)48-24-37(29-10-5-4-6-11-29)46-43(48)35(32)22-30;1-22-17-23(2)35(24(3)18-22)32-21-43-34-9-6-14-39-36(34)29-13-11-26(20-31(29)38(43)41-32)44-25-10-12-27-28-7-4-5-8-33(28)42-16-15-40-37(42)30(27)19-25;1-21-16-22(2)33(23(3)17-21)31-20-43-32-7-5-12-38-34(32)27-11-9-25(19-30(27)37(43)41-31)44-24-8-10-26-28-6-4-13-39-35(28)42-15-14-40-36(42)29(26)18-24;;;;;;/h4-26,29H,1-3H3;7-21,24-25H,1-6H3;2*4-21,24-25H,1-3H3;4-18,21H,1-3H3;4-17,20H,1-3H3;;;;;;/q6*-2;6*+2
InChIKeyUWVNCGKCTJMSBW-UHFFFAOYSA-N
XLogP62.49
TPSA353.21 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds23
Heavy Atoms303
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004999.94
LogP ≤ 562.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

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Related Compounds

CID 163899118
CID 163899118
CID 163782597
CID 163782597
CID 163791617
CID 163791617
CID 164704097
CID 164704097
CID 164703843
CID 164703843
CID 164703913
CID 164703913
CID 164703846
CID 164703846
2,3-diphenyl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(platinum(2+));11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 163930848
CID 164704152
CID 164704152
11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-2,3-diphenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 164703973
CID 164703835
CID 164703835
9-(2,3-diphenylimidazo[1,2-f]phenanthridin-11-yl)oxy-4-(2,4,6-trimethylphenyl)-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163789384

Frequently Asked Questions

What is the IUPAC name of CID 163789378?
The IUPAC name of CID 163789378 (CID 163789378) is not available.
What is the SMILES notation for CID 163789378?
The canonical SMILES for CID 163789378 is Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5c(-c7c(C)cc(C)cc7C)cnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5c(-c7ccccc7)c(-c7ccccc7)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5c(-c7ccccc7)cnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5cc(-c7ccccc7)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5ccnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5cccnc5n5ccnc65)[c-]c4c3n2)c(C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 163789378?
The InChIKey is UWVNCGKCTJMSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5O.C47H35N5O.2C44H29N5O.C38H25N5O.C37H24N6O.6Pt/c1-30-25-31(2)45(32(3)26-30)42-29-54-44-19-12-24-51-47(44)39-23-21-36(28-41(39)49(54)52-42)56-35-20-22-37-38-17-10-11-18-43(38)55-48(34-15-8-5-9-16-34)46(33-13-6-4-7-14-33)53-50(55)40(37)27-35;1-26-18-28(3)43(29(4)19-26)39-25-51-41-12-9-17-48-45(41)36-16-14-33(23-38(36)47(51)50-39)53-32-13-15-34-35-10-7-8-11-40(35)52-42(24-49-46(52)37(34)22-32)44-30(5)20-27(2)21-31(44)6;1-26-20-27(2)41(28(3)21-26)37-25-48-39-14-9-19-45-42(39)34-18-16-31(23-36(34)44(48)47-37)50-30-15-17-32-33-12-7-8-13-38(33)49-40(29-10-5-4-6-11-29)24-46-43(49)35(32)22-30;1-26-20-27(2)41(28(3)21-26)38-25-49-40-14-9-19-45-42(40)34-18-16-31(23-36(34)44(49)47-38)50-30-15-17-32-33-12-7-8-13-39(33)48-24-37(29-10-5-4-6-11-29)46-43(48)35(32)22-30;1-22-17-23(2)35(24(3)18-22)32-21-43-34-9-6-14-39-36(34)29-13-11-26(20-31(29)38(43)41-32)44-25-10-12-27-28-7-4-5-8-33(28)42-16-15-40-37(42)30(27)19-25;1-21-16-22(2)33(23(3)17-21)31-20-43-32-7-5-12-38-34(32)27-11-9-25(19-30(27)37(43)41-31)44-24-8-10-26-28-6-4-13-39-35(28)42-15-14-40-36(42)29(26)18-24;;;;;;/h4-26,29H,1-3H3;7-21,24-25H,1-6H3;2*4-21,24-25H,1-3H3;4-18,21H,1-3H3;4-17,20H,1-3H3;;;;;;/q6*-2;6*+2.
What are the key properties of CID 163789378?
CID 163789378 has a molecular weight of 4999.94 g/mol, XLogP of 62.49, 23 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163789378 is sourced from PubChem (CID 163789378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).