CID 163782597

C268H163N35O6Pt6 — CID 163782597

IUPAC—
SMILESCc1cc(C)c(-c2cnc3c4[c-]c(Oc5[c-]c6c(cc5)c5cccnc5n5c(-c7ccccc7)c(-c7ccccc7)nc65)ccc4c4ncccc4n23)c(C)c1.Cc1nc2c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3ccccc3n2c1C.Cc1nc2c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3cccnc3n2c1C.Cc1nc2c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3ncccc3n2c1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)c(-c4ccccc4)nc32)ccc2c1c1nc(-c3ccccc3)cn1c1cccnc21.[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)c(-c4ccccc4)nc32)ccc2c1c1ncc(-c3ccccc3)n1c1cccnc21
InChIInChI=1S/C49H32N6O.2C46H26N6O.C43H27N5O.2C42H26N6O.6Pt/c1-29-24-30(2)43(31(3)25-29)42-28-52-48-40-27-35(19-21-37(40)45-41(54(42)48)17-11-22-50-45)56-34-18-20-36-38-16-10-23-51-47(38)55-46(33-14-8-5-9-15-33)44(32-12-6-4-7-13-32)53-49(55)39(36)26-34;1-4-12-29(13-5-1)39-28-51-40-19-11-24-47-42(40)35-23-21-33(27-38(35)45(51)49-39)53-32-20-22-34-36-18-10-25-48-44(36)52-43(31-16-8-3-9-17-31)41(30-14-6-2-7-15-30)50-46(52)37(34)26-32;1-4-12-29(13-5-1)40-28-49-45-38-27-33(21-23-35(38)42-39(51(40)45)19-11-24-47-42)53-32-20-22-34-36-18-10-25-48-44(36)52-43(31-16-8-3-9-17-31)41(30-14-6-2-7-15-30)50-46(52)37(34)26-32;1-26-27(2)47-38-18-10-9-16-34(38)32-21-19-30(24-36(32)42(47)45-26)49-31-20-22-33-35-17-11-23-44-41(35)48-40(29-14-7-4-8-15-29)39(28-12-5-3-6-13-28)46-43(48)37(33)25-31;1-25-26(2)47-36-16-10-21-43-38(36)32-20-18-30(24-35(32)41(47)45-25)49-29-17-19-31-33-15-9-22-44-40(33)48-39(28-13-7-4-8-14-28)37(27-11-5-3-6-12-27)46-42(48)34(31)23-29;1-25-26(2)47-39-33(15-9-21-43-39)31-19-17-29(23-35(31)41(47)45-25)49-30-18-20-32-34-16-10-22-44-40(34)48-38(28-13-7-4-8-14-28)37(27-11-5-3-6-12-27)46-42(48)36(32)24-30;;;;;;/h4-25,28H,1-3H3;2*1-25,28H;3-23H,1-2H3;2*3-22H,1-2H3;;;;;;/q6*-2;6*+2
InChIKeyPCSYJKDXFVSSRT-UHFFFAOYSA-N
MW5139.96 g/mol
LogP63.04
Rot. Bonds27

About CID 163782597

CID 163782597 (PubChem CID 163782597) has the molecular formula C268H163N35O6Pt6 and a molecular weight of 5139.96 g/mol.

Molecular Properties

Compound NameCID 163782597
PubChem CID163782597
Molecular FormulaC268H163N35O6Pt6
Molecular Weight5139.96 g/mol
Exact Mass5136.14
IUPAC Name—
SMILESCc1cc(C)c(-c2cnc3c4[c-]c(Oc5[c-]c6c(cc5)c5cccnc5n5c(-c7ccccc7)c(-c7ccccc7)nc65)ccc4c4ncccc4n23)c(C)c1.Cc1nc2c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3ccccc3n2c1C.Cc1nc2c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3cccnc3n2c1C.Cc1nc2c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3ncccc3n2c1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)c(-c4ccccc4)nc32)ccc2c1c1nc(-c3ccccc3)cn1c1cccnc21.[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)c(-c4ccccc4)nc32)ccc2c1c1ncc(-c3ccccc3)n1c1cccnc21
InChIInChI=1S/C49H32N6O.2C46H26N6O.C43H27N5O.2C42H26N6O.6Pt/c1-29-24-30(2)43(31(3)25-29)42-28-52-48-40-27-35(19-21-37(40)45-41(54(42)48)17-11-22-50-45)56-34-18-20-36-38-16-10-23-51-47(38)55-46(33-14-8-5-9-15-33)44(32-12-6-4-7-13-32)53-49(55)39(36)26-34;1-4-12-29(13-5-1)39-28-51-40-19-11-24-47-42(40)35-23-21-33(27-38(35)45(51)49-39)53-32-20-22-34-36-18-10-25-48-44(36)52-43(31-16-8-3-9-17-31)41(30-14-6-2-7-15-30)50-46(52)37(34)26-32;1-4-12-29(13-5-1)40-28-49-45-38-27-33(21-23-35(38)42-39(51(40)45)19-11-24-47-42)53-32-20-22-34-36-18-10-25-48-44(36)52-43(31-16-8-3-9-17-31)41(30-14-6-2-7-15-30)50-46(52)37(34)26-32;1-26-27(2)47-38-18-10-9-16-34(38)32-21-19-30(24-36(32)42(47)45-26)49-31-20-22-33-35-17-11-23-44-41(35)48-40(29-14-7-4-8-15-29)39(28-12-5-3-6-13-28)46-43(48)37(33)25-31;1-25-26(2)47-36-16-10-21-43-38(36)32-20-18-30(24-35(32)41(47)45-25)49-29-17-19-31-33-15-9-22-44-40(33)48-39(28-13-7-4-8-14-28)37(27-11-5-3-6-12-27)46-42(48)34(31)23-29;1-25-26(2)47-39-33(15-9-21-43-39)31-19-17-29(23-35(31)41(47)45-25)49-30-18-20-32-34-16-10-22-44-40(34)48-38(28-13-7-4-8-14-28)37(27-11-5-3-6-12-27)46-42(48)36(32)24-30;;;;;;/h4-25,28H,1-3H3;2*1-25,28H;3-23H,1-2H3;2*3-22H,1-2H3;;;;;;/q6*-2;6*+2
InChIKeyPCSYJKDXFVSSRT-UHFFFAOYSA-N
XLogP63.04
TPSA404.77 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds27
Heavy Atoms315
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005139.96
LogP ≤ 563.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

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Related Compounds

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CID 164704152
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
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CID 164703913
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CID 164703835

Frequently Asked Questions

What is the IUPAC name of CID 163782597?
The IUPAC name of CID 163782597 (CID 163782597) is not available.
What is the SMILES notation for CID 163782597?
The canonical SMILES for CID 163782597 is Cc1cc(C)c(-c2cnc3c4[c-]c(Oc5[c-]c6c(cc5)c5cccnc5n5c(-c7ccccc7)c(-c7ccccc7)nc65)ccc4c4ncccc4n23)c(C)c1.Cc1nc2c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3ccccc3n2c1C.Cc1nc2c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3cccnc3n2c1C.Cc1nc2c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n4c(-c6ccccc6)c(-c6ccccc6)nc54)ccc3c3ncccc3n2c1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)c(-c4ccccc4)nc32)ccc2c1c1nc(-c3ccccc3)cn1c1cccnc21.[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2c(-c4ccccc4)c(-c4ccccc4)nc32)ccc2c1c1ncc(-c3ccccc3)n1c1cccnc21.
What is the InChIKey of CID 163782597?
The InChIKey is PCSYJKDXFVSSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N6O.2C46H26N6O.C43H27N5O.2C42H26N6O.6Pt/c1-29-24-30(2)43(31(3)25-29)42-28-52-48-40-27-35(19-21-37(40)45-41(54(42)48)17-11-22-50-45)56-34-18-20-36-38-16-10-23-51-47(38)55-46(33-14-8-5-9-15-33)44(32-12-6-4-7-13-32)53-49(55)39(36)26-34;1-4-12-29(13-5-1)39-28-51-40-19-11-24-47-42(40)35-23-21-33(27-38(35)45(51)49-39)53-32-20-22-34-36-18-10-25-48-44(36)52-43(31-16-8-3-9-17-31)41(30-14-6-2-7-15-30)50-46(52)37(34)26-32;1-4-12-29(13-5-1)40-28-49-45-38-27-33(21-23-35(38)42-39(51(40)45)19-11-24-47-42)53-32-20-22-34-36-18-10-25-48-44(36)52-43(31-16-8-3-9-17-31)41(30-14-6-2-7-15-30)50-46(52)37(34)26-32;1-26-27(2)47-38-18-10-9-16-34(38)32-21-19-30(24-36(32)42(47)45-26)49-31-20-22-33-35-17-11-23-44-41(35)48-40(29-14-7-4-8-15-29)39(28-12-5-3-6-13-28)46-43(48)37(33)25-31;1-25-26(2)47-36-16-10-21-43-38(36)32-20-18-30(24-35(32)41(47)45-25)49-29-17-19-31-33-15-9-22-44-40(33)48-39(28-13-7-4-8-14-28)37(27-11-5-3-6-12-27)46-42(48)34(31)23-29;1-25-26(2)47-39-33(15-9-21-43-39)31-19-17-29(23-35(31)41(47)45-25)49-30-18-20-32-34-16-10-22-44-40(34)48-38(28-13-7-4-8-14-28)37(27-11-5-3-6-12-27)46-42(48)36(32)24-30;;;;;;/h4-25,28H,1-3H3;2*1-25,28H;3-23H,1-2H3;2*3-22H,1-2H3;;;;;;/q6*-2;6*+2.
What are the key properties of CID 163782597?
CID 163782597 has a molecular weight of 5139.96 g/mol, XLogP of 63.04, 27 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163782597 is sourced from PubChem (CID 163782597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).