CID 163899118

C242H139N31O6Pt6 — CID 163899118

IUPAC—
SMILESCc1cc(C)c(-c2cnc3c4[c-]c(Oc5[c-]c6c(cc5)c5ncccc5n5cc(-c7ccccc7)nc65)ccc4c4ccccc4n23)c(C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2c(-c4ccccc4)c(-c4ccccc4)nc32)ccc2c1c1nc(-c3ccccc3)cn1c1cccnc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2c(-c4ccccc4)cnc32)ccc2c1c1nc(-c3ccccc3)cn1c1cccnc21.[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2ccnc32)ccc2c1c1nc(-c3ccccc3)cn1c1cccnc21.[c-]1c(Oc2[c-]c3c(cc2)c2ncccc2n2cc(-c4ccccc4)nc32)ccc2c1c1nc(-c3ccccc3)cn1c1ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ncccc2n2cc(-c4ccccc4)nc32)ccc2c1c1nccn1c1ccccc21
InChIInChI=1S/C47H27N5O.C44H29N5O.2C41H23N5O.C35H19N5O.C34H18N6O.6Pt/c1-4-13-30(14-5-1)40-29-51-42-21-12-26-48-44(42)37-25-23-34(28-39(37)46(51)49-40)53-33-22-24-35-36-19-10-11-20-41(36)52-45(32-17-8-3-9-18-32)43(31-15-6-2-7-16-31)50-47(52)38(35)27-33;1-26-20-27(2)41(28(3)21-26)40-24-46-43-35-22-30(15-17-32(35)33-12-7-8-13-38(33)49(40)43)50-31-16-18-34-36(23-31)44-47-37(29-10-5-4-6-11-29)25-48(44)39-14-9-19-45-42(34)39;1-3-10-26(11-4-1)35-25-45-37-16-9-21-42-39(37)32-20-18-29(23-34(32)41(45)44-35)47-28-17-19-30-31-14-7-8-15-36(31)46-38(27-12-5-2-6-13-27)24-43-40(46)33(30)22-28;1-3-10-26(11-4-1)35-24-45-37-15-8-7-14-31(37)30-19-17-28(22-33(30)40(45)43-35)47-29-18-20-32-34(23-29)41-44-36(27-12-5-2-6-13-27)25-46(41)38-16-9-21-42-39(32)38;1-2-7-22(8-3-1)30-21-40-32-11-6-16-36-33(32)27-15-13-24(20-29(27)35(40)38-30)41-23-12-14-25-26-9-4-5-10-31(26)39-18-17-37-34(39)28(25)19-23;1-2-6-21(7-3-1)29-20-40-30-9-5-14-35-31(30)25-13-11-23(19-28(25)34(40)38-29)41-22-10-12-24-26-8-4-15-36-32(26)39-17-16-37-33(39)27(24)18-22;;;;;;/h1-26,29H;4-21,24-25H,1-3H3;2*1-21,24-25H;1-18,21H;1-17,20H;;;;;;/q6*-2;6*+2
InChIKeyQSAQZJMMJNAZBB-UHFFFAOYSA-N
MW4747.45 g/mol
LogP56.94
Rot. Bonds23

About CID 163899118

CID 163899118 (PubChem CID 163899118) has the molecular formula C242H139N31O6Pt6 and a molecular weight of 4747.45 g/mol.

Molecular Properties

Compound NameCID 163899118
PubChem CID163899118
Molecular FormulaC242H139N31O6Pt6
Molecular Weight4747.45 g/mol
Exact Mass4743.94
IUPAC Name—
SMILESCc1cc(C)c(-c2cnc3c4[c-]c(Oc5[c-]c6c(cc5)c5ncccc5n5cc(-c7ccccc7)nc65)ccc4c4ccccc4n23)c(C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2c(-c4ccccc4)c(-c4ccccc4)nc32)ccc2c1c1nc(-c3ccccc3)cn1c1cccnc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2c(-c4ccccc4)cnc32)ccc2c1c1nc(-c3ccccc3)cn1c1cccnc21.[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2ccnc32)ccc2c1c1nc(-c3ccccc3)cn1c1cccnc21.[c-]1c(Oc2[c-]c3c(cc2)c2ncccc2n2cc(-c4ccccc4)nc32)ccc2c1c1nc(-c3ccccc3)cn1c1ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ncccc2n2cc(-c4ccccc4)nc32)ccc2c1c1nccn1c1ccccc21
InChIInChI=1S/C47H27N5O.C44H29N5O.2C41H23N5O.C35H19N5O.C34H18N6O.6Pt/c1-4-13-30(14-5-1)40-29-51-42-21-12-26-48-44(42)37-25-23-34(28-39(37)46(51)49-40)53-33-22-24-35-36-19-10-11-20-41(36)52-45(32-17-8-3-9-18-32)43(31-15-6-2-7-16-31)50-47(52)38(35)27-33;1-26-20-27(2)41(28(3)21-26)40-24-46-43-35-22-30(15-17-32(35)33-12-7-8-13-38(33)49(40)43)50-31-16-18-34-36(23-31)44-47-37(29-10-5-4-6-11-29)25-48(44)39-14-9-19-45-42(34)39;1-3-10-26(11-4-1)35-25-45-37-16-9-21-42-39(37)32-20-18-29(23-34(32)41(45)44-35)47-28-17-19-30-31-14-7-8-15-36(31)46-38(27-12-5-2-6-13-27)24-43-40(46)33(30)22-28;1-3-10-26(11-4-1)35-24-45-37-15-8-7-14-31(37)30-19-17-28(22-33(30)40(45)43-35)47-29-18-20-32-34(23-29)41-44-36(27-12-5-2-6-13-27)25-46(41)38-16-9-21-42-39(32)38;1-2-7-22(8-3-1)30-21-40-32-11-6-16-36-33(32)27-15-13-24(20-29(27)35(40)38-30)41-23-12-14-25-26-9-4-5-10-31(26)39-18-17-37-34(39)28(25)19-23;1-2-6-21(7-3-1)29-20-40-30-9-5-14-35-31(30)25-13-11-23(19-28(25)34(40)38-29)41-22-10-12-24-26-8-4-15-36-32(26)39-17-16-37-33(39)27(24)18-22;;;;;;/h1-26,29H;4-21,24-25H,1-3H3;2*1-21,24-25H;1-18,21H;1-17,20H;;;;;;/q6*-2;6*+2
InChIKeyQSAQZJMMJNAZBB-UHFFFAOYSA-N
XLogP56.94
TPSA353.21 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds23
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004747.45
LogP ≤ 556.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

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Related Compounds

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CID 163789378
CID 163782597
CID 163782597
CID 163791617
CID 163791617
CID 164704097
CID 164704097
CID 164703843
CID 164703843
CID 164703846
CID 164703846
CID 164703913
CID 164703913
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
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
11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-imidazo[1,2-f]phenanthridin-11-yloxy-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine;platinum(2+);potassiopotassium;tetrachloroplatinum
CID 158347481
CID 154610613
CID 154610613

Frequently Asked Questions

What is the IUPAC name of CID 163899118?
The IUPAC name of CID 163899118 (CID 163899118) is not available.
What is the SMILES notation for CID 163899118?
The canonical SMILES for CID 163899118 is Cc1cc(C)c(-c2cnc3c4[c-]c(Oc5[c-]c6c(cc5)c5ncccc5n5cc(-c7ccccc7)nc65)ccc4c4ccccc4n23)c(C)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2c(-c4ccccc4)c(-c4ccccc4)nc32)ccc2c1c1nc(-c3ccccc3)cn1c1cccnc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2c(-c4ccccc4)cnc32)ccc2c1c1nc(-c3ccccc3)cn1c1cccnc21.[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2ccnc32)ccc2c1c1nc(-c3ccccc3)cn1c1cccnc21.[c-]1c(Oc2[c-]c3c(cc2)c2ncccc2n2cc(-c4ccccc4)nc32)ccc2c1c1nc(-c3ccccc3)cn1c1ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ncccc2n2cc(-c4ccccc4)nc32)ccc2c1c1nccn1c1ccccc21.
What is the InChIKey of CID 163899118?
The InChIKey is QSAQZJMMJNAZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N5O.C44H29N5O.2C41H23N5O.C35H19N5O.C34H18N6O.6Pt/c1-4-13-30(14-5-1)40-29-51-42-21-12-26-48-44(42)37-25-23-34(28-39(37)46(51)49-40)53-33-22-24-35-36-19-10-11-20-41(36)52-45(32-17-8-3-9-18-32)43(31-15-6-2-7-16-31)50-47(52)38(35)27-33;1-26-20-27(2)41(28(3)21-26)40-24-46-43-35-22-30(15-17-32(35)33-12-7-8-13-38(33)49(40)43)50-31-16-18-34-36(23-31)44-47-37(29-10-5-4-6-11-29)25-48(44)39-14-9-19-45-42(34)39;1-3-10-26(11-4-1)35-25-45-37-16-9-21-42-39(37)32-20-18-29(23-34(32)41(45)44-35)47-28-17-19-30-31-14-7-8-15-36(31)46-38(27-12-5-2-6-13-27)24-43-40(46)33(30)22-28;1-3-10-26(11-4-1)35-24-45-37-15-8-7-14-31(37)30-19-17-28(22-33(30)40(45)43-35)47-29-18-20-32-34(23-29)41-44-36(27-12-5-2-6-13-27)25-46(41)38-16-9-21-42-39(32)38;1-2-7-22(8-3-1)30-21-40-32-11-6-16-36-33(32)27-15-13-24(20-29(27)35(40)38-30)41-23-12-14-25-26-9-4-5-10-31(26)39-18-17-37-34(39)28(25)19-23;1-2-6-21(7-3-1)29-20-40-30-9-5-14-35-31(30)25-13-11-23(19-28(25)34(40)38-29)41-22-10-12-24-26-8-4-15-36-32(26)39-17-16-37-33(39)27(24)18-22;;;;;;/h1-26,29H;4-21,24-25H,1-3H3;2*1-21,24-25H;1-18,21H;1-17,20H;;;;;;/q6*-2;6*+2.
What are the key properties of CID 163899118?
CID 163899118 has a molecular weight of 4747.45 g/mol, XLogP of 56.94, 23 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163899118 is sourced from PubChem (CID 163899118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).