CID 163791617

C250H175N35O6Pt6 — CID 163791617

IUPAC—
SMILESCc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5c(C)c(C)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5cccnc5n5c(C)c(C)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ncccc5n5c(-c7c(C)cc(C)cc7C)cnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ncccc5n5c(-c7ccccc7)cnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ncccc5n5c(C)c(C)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ncccc5n5cc(-c7ccccc7)nc65)[c-]c4c3n2)c(C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C46H34N6O.2C43H28N6O.C40H29N5O.2C39H28N6O.6Pt/c1-25-17-27(3)41(28(4)18-25)37-24-51-38-9-7-15-47-43(38)34-14-12-32(22-36(34)46(51)50-37)53-31-11-13-33-35(21-31)45-49-23-40(42-29(5)19-26(2)20-30(42)6)52(45)39-10-8-16-48-44(33)39;1-25-19-26(2)39(27(3)20-25)35-24-48-36-11-7-17-44-40(36)32-16-14-30(22-34(32)43(48)47-35)50-29-13-15-31-33(21-29)42-46-23-38(28-9-5-4-6-10-28)49(42)37-12-8-18-45-41(31)37;1-25-19-26(2)39(27(3)20-25)36-24-49-38-12-8-18-45-41(38)32-16-14-30(22-34(32)43(49)47-36)50-29-13-15-31-33(21-29)42-46-35(28-9-5-4-6-10-28)23-48(42)37-11-7-17-44-40(31)37;1-22-17-23(2)37(24(3)18-22)34-21-44-36-11-8-16-41-38(36)31-15-13-28(20-33(31)39(44)43-34)46-27-12-14-29-30-9-6-7-10-35(30)45-26(5)25(4)42-40(45)32(29)19-27;1-21-16-22(2)35(23(3)17-21)33-20-44-34-9-7-14-40-36(34)29-13-11-27(19-32(29)38(44)43-33)46-26-10-12-28-30-8-6-15-41-37(30)45-25(5)24(4)42-39(45)31(28)18-26;1-21-16-22(2)35(23(3)17-21)32-20-44-33-8-6-14-40-36(33)28-12-10-26(18-30(28)38(44)43-32)46-27-11-13-29-31(19-27)39-42-24(4)25(5)45(39)34-9-7-15-41-37(29)34;;;;;;/h7-20,23-24H,1-6H3;2*4-20,23-24H,1-3H3;6-18,21H,1-5H3;2*6-17,20H,1-5H3;;;;;;/q6*-2;6*+2
InChIKeyYBFLTGGZCFIDSP-UHFFFAOYSA-N
MW4935.86 g/mol
LogP58.59
Rot. Bonds21

About CID 163791617

CID 163791617 (PubChem CID 163791617) has the molecular formula C250H175N35O6Pt6 and a molecular weight of 4935.86 g/mol.

Molecular Properties

Compound NameCID 163791617
PubChem CID163791617
Molecular FormulaC250H175N35O6Pt6
Molecular Weight4935.86 g/mol
Exact Mass4932.24
IUPAC Name—
SMILESCc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5c(C)c(C)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5cccnc5n5c(C)c(C)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ncccc5n5c(-c7c(C)cc(C)cc7C)cnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ncccc5n5c(-c7ccccc7)cnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ncccc5n5c(C)c(C)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ncccc5n5cc(-c7ccccc7)nc65)[c-]c4c3n2)c(C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C46H34N6O.2C43H28N6O.C40H29N5O.2C39H28N6O.6Pt/c1-25-17-27(3)41(28(4)18-25)37-24-51-38-9-7-15-47-43(38)34-14-12-32(22-36(34)46(51)50-37)53-31-11-13-33-35(21-31)45-49-23-40(42-29(5)19-26(2)20-30(42)6)52(45)39-10-8-16-48-44(33)39;1-25-19-26(2)39(27(3)20-25)35-24-48-36-11-7-17-44-40(36)32-16-14-30(22-34(32)43(48)47-35)50-29-13-15-31-33(21-29)42-46-23-38(28-9-5-4-6-10-28)49(42)37-12-8-18-45-41(31)37;1-25-19-26(2)39(27(3)20-25)36-24-49-38-12-8-18-45-41(38)32-16-14-30(22-34(32)43(49)47-36)50-29-13-15-31-33(21-29)42-46-35(28-9-5-4-6-10-28)23-48(42)37-11-7-17-44-40(31)37;1-22-17-23(2)37(24(3)18-22)34-21-44-36-11-8-16-41-38(36)31-15-13-28(20-33(31)39(44)43-34)46-27-12-14-29-30-9-6-7-10-35(30)45-26(5)25(4)42-40(45)32(29)19-27;1-21-16-22(2)35(23(3)17-21)33-20-44-34-9-7-14-40-36(34)29-13-11-27(19-32(29)38(44)43-33)46-26-10-12-28-30-8-6-15-41-37(30)45-25(5)24(4)42-39(45)31(28)18-26;1-21-16-22(2)35(23(3)17-21)32-20-44-33-8-6-14-40-36(33)28-12-10-26(18-30(28)38(44)43-32)46-27-11-13-29-31(19-27)39-42-24(4)25(5)45(39)34-9-7-15-41-37(29)34;;;;;;/h7-20,23-24H,1-6H3;2*4-20,23-24H,1-3H3;6-18,21H,1-5H3;2*6-17,20H,1-5H3;;;;;;/q6*-2;6*+2
InChIKeyYBFLTGGZCFIDSP-UHFFFAOYSA-N
XLogP58.59
TPSA404.77 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds21
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004935.86
LogP ≤ 558.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

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Related Compounds

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platinum(2+);11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 164703962
9-(2,3-dimethylimidazo[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 163791620

Frequently Asked Questions

What is the IUPAC name of CID 163791617?
The IUPAC name of CID 163791617 (CID 163791617) is not available.
What is the SMILES notation for CID 163791617?
The canonical SMILES for CID 163791617 is Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ccccc5n5c(C)c(C)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5cccnc5n5c(C)c(C)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ncccc5n5c(-c7c(C)cc(C)cc7C)cnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ncccc5n5c(-c7ccccc7)cnc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ncccc5n5c(C)c(C)nc65)[c-]c4c3n2)c(C)c1.Cc1cc(C)c(-c2cn3c4cccnc4c4ccc(Oc5[c-]c6c(cc5)c5ncccc5n5cc(-c7ccccc7)nc65)[c-]c4c3n2)c(C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 163791617?
The InChIKey is YBFLTGGZCFIDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N6O.2C43H28N6O.C40H29N5O.2C39H28N6O.6Pt/c1-25-17-27(3)41(28(4)18-25)37-24-51-38-9-7-15-47-43(38)34-14-12-32(22-36(34)46(51)50-37)53-31-11-13-33-35(21-31)45-49-23-40(42-29(5)19-26(2)20-30(42)6)52(45)39-10-8-16-48-44(33)39;1-25-19-26(2)39(27(3)20-25)35-24-48-36-11-7-17-44-40(36)32-16-14-30(22-34(32)43(48)47-35)50-29-13-15-31-33(21-29)42-46-23-38(28-9-5-4-6-10-28)49(42)37-12-8-18-45-41(31)37;1-25-19-26(2)39(27(3)20-25)36-24-49-38-12-8-18-45-41(38)32-16-14-30(22-34(32)43(49)47-36)50-29-13-15-31-33(21-29)42-46-35(28-9-5-4-6-10-28)23-48(42)37-11-7-17-44-40(31)37;1-22-17-23(2)37(24(3)18-22)34-21-44-36-11-8-16-41-38(36)31-15-13-28(20-33(31)39(44)43-34)46-27-12-14-29-30-9-6-7-10-35(30)45-26(5)25(4)42-40(45)32(29)19-27;1-21-16-22(2)35(23(3)17-21)33-20-44-34-9-7-14-40-36(34)29-13-11-27(19-32(29)38(44)43-33)46-26-10-12-28-30-8-6-15-41-37(30)45-25(5)24(4)42-39(45)31(28)18-26;1-21-16-22(2)35(23(3)17-21)32-20-44-33-8-6-14-40-36(33)28-12-10-26(18-30(28)38(44)43-32)46-27-11-13-29-31(19-27)39-42-24(4)25(5)45(39)34-9-7-15-41-37(29)34;;;;;;/h7-20,23-24H,1-6H3;2*4-20,23-24H,1-3H3;6-18,21H,1-5H3;2*6-17,20H,1-5H3;;;;;;/q6*-2;6*+2.
What are the key properties of CID 163791617?
CID 163791617 has a molecular weight of 4935.86 g/mol, XLogP of 58.59, 21 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163791617 is sourced from PubChem (CID 163791617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).