CID 163675758

C247H154N30O6Pt6 — CID 163675758

IUPAC—
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cccnc2n2cc(-c4ccccc4)nc32)[c-]c(-n2c3ccccc3c3cccnc32)c1.CC(C)(C)c1ccc2c3cccnc3n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n4cc(-c6ccccc6)nc54)ccc3)c2c1.CC1(C)c2ccc(Oc3[c-]c4c(cc3)c3cccnc3n3cc(-c5ccccc5)nc43)[c-]c2-n2c3ncccc3c3cccc1c32.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2cc(-c4ccccc4)nc32)ccc2c1-n1c3ncccc3c3cccc(c31)C2.[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2cc(-c4ccccc4)nc32)ccc2c1-n1c3ncccc3c3cccc(c31)C2(c1ccccc1)c1ccccc1.[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2cc(-c4ccccc4)nc32)cccc1-n1c2ccccc2c2cccnc21
InChIInChI=1S/C50H29N5O.2C41H29N5O.C40H25N5O.C38H21N5O.C37H21N5O.6Pt/c1-4-13-32(14-5-1)44-31-54-47-39(20-11-27-51-47)37-25-23-35(29-41(37)49(54)53-44)56-36-24-26-42-45(30-36)55-46-38(40-21-12-28-52-48(40)55)19-10-22-43(46)50(42,33-15-6-2-7-16-33)34-17-8-3-9-18-34;1-41(2,3)27-16-18-32-34-15-9-21-43-39(34)46(37(32)22-27)28-12-7-13-29(23-28)47-30-17-19-31-33-14-8-20-42-38(33)45-25-36(26-10-5-4-6-11-26)44-40(45)35(31)24-30;1-41(2,3)27-21-28(46-37-16-8-7-13-32(37)34-15-10-20-43-39(34)46)23-30(22-27)47-29-17-18-31-33-14-9-19-42-38(33)45-25-36(26-11-5-4-6-12-26)44-40(45)35(31)24-29;1-40(2)32-18-16-26(22-35(32)45-36-28(11-6-14-33(36)40)30-13-8-20-42-38(30)45)46-25-15-17-27-29-12-7-19-41-37(29)44-23-34(24-9-4-3-5-10-24)43-39(44)31(27)21-25;1-2-7-23(8-3-1)33-22-42-36-30(11-5-17-39-36)28-16-15-26(20-32(28)38(42)41-33)44-27-14-13-24-19-25-9-4-10-29-31-12-6-18-40-37(31)43(35(25)29)34(24)21-27;1-2-9-24(10-3-1)33-23-41-35-30(14-7-19-38-35)28-18-17-27(22-32(28)37(41)40-33)43-26-12-6-11-25(21-26)42-34-16-5-4-13-29(34)31-15-8-20-39-36(31)42;;;;;;/h1-28,31H;2*4-22,25H,1-3H3;3-20,23H,1-2H3;1-18,22H,19H2;1-20,23H;;;;;;/q6*-2;6*+2
InChIKeyHIPMRQVVWXWLLH-UHFFFAOYSA-N
MW4808.62 g/mol
LogP57.34
Rot. Bonds23

About CID 163675758

CID 163675758 (PubChem CID 163675758) has the molecular formula C247H154N30O6Pt6 and a molecular weight of 4808.62 g/mol.

Molecular Properties

Compound NameCID 163675758
PubChem CID163675758
Molecular FormulaC247H154N30O6Pt6
Molecular Weight4808.62 g/mol
Exact Mass4805.06
IUPAC Name—
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cccnc2n2cc(-c4ccccc4)nc32)[c-]c(-n2c3ccccc3c3cccnc32)c1.CC(C)(C)c1ccc2c3cccnc3n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n4cc(-c6ccccc6)nc54)ccc3)c2c1.CC1(C)c2ccc(Oc3[c-]c4c(cc3)c3cccnc3n3cc(-c5ccccc5)nc43)[c-]c2-n2c3ncccc3c3cccc1c32.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2cc(-c4ccccc4)nc32)ccc2c1-n1c3ncccc3c3cccc(c31)C2.[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2cc(-c4ccccc4)nc32)ccc2c1-n1c3ncccc3c3cccc(c31)C2(c1ccccc1)c1ccccc1.[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2cc(-c4ccccc4)nc32)cccc1-n1c2ccccc2c2cccnc21
InChIInChI=1S/C50H29N5O.2C41H29N5O.C40H25N5O.C38H21N5O.C37H21N5O.6Pt/c1-4-13-32(14-5-1)44-31-54-47-39(20-11-27-51-47)37-25-23-35(29-41(37)49(54)53-44)56-36-24-26-42-45(30-36)55-46-38(40-21-12-28-52-48(40)55)19-10-22-43(46)50(42,33-15-6-2-7-16-33)34-17-8-3-9-18-34;1-41(2,3)27-16-18-32-34-15-9-21-43-39(34)46(37(32)22-27)28-12-7-13-29(23-28)47-30-17-19-31-33-14-8-20-42-38(33)45-25-36(26-10-5-4-6-11-26)44-40(45)35(31)24-30;1-41(2,3)27-21-28(46-37-16-8-7-13-32(37)34-15-10-20-43-39(34)46)23-30(22-27)47-29-17-18-31-33-14-9-19-42-38(33)45-25-36(26-11-5-4-6-12-26)44-40(45)35(31)24-29;1-40(2)32-18-16-26(22-35(32)45-36-28(11-6-14-33(36)40)30-13-8-20-42-38(30)45)46-25-15-17-27-29-12-7-19-41-37(29)44-23-34(24-9-4-3-5-10-24)43-39(44)31(27)21-25;1-2-7-23(8-3-1)33-22-42-36-30(11-5-17-39-36)28-16-15-26(20-32(28)38(42)41-33)44-27-14-13-24-19-25-9-4-10-29-31-12-6-18-40-37(31)43(35(25)29)34(24)21-27;1-2-9-24(10-3-1)33-23-41-35-30(14-7-19-38-35)28-18-17-27(22-32(28)37(41)40-33)43-26-12-6-11-25(21-26)42-34-16-5-4-13-29(34)31-15-8-20-39-36(31)42;;;;;;/h1-28,31H;2*4-22,25H,1-3H3;3-20,23H,1-2H3;1-18,22H,19H2;1-20,23H;;;;;;/q6*-2;6*+2
InChIKeyHIPMRQVVWXWLLH-UHFFFAOYSA-N
XLogP57.34
TPSA343.44 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004808.62
LogP ≤ 557.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

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Frequently Asked Questions

What is the IUPAC name of CID 163675758?
The IUPAC name of CID 163675758 (CID 163675758) is not available.
What is the SMILES notation for CID 163675758?
The canonical SMILES for CID 163675758 is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cccnc2n2cc(-c4ccccc4)nc32)[c-]c(-n2c3ccccc3c3cccnc32)c1.CC(C)(C)c1ccc2c3cccnc3n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cccnc4n4cc(-c6ccccc6)nc54)ccc3)c2c1.CC1(C)c2ccc(Oc3[c-]c4c(cc3)c3cccnc3n3cc(-c5ccccc5)nc43)[c-]c2-n2c3ncccc3c3cccc1c32.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2cc(-c4ccccc4)nc32)ccc2c1-n1c3ncccc3c3cccc(c31)C2.[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2cc(-c4ccccc4)nc32)ccc2c1-n1c3ncccc3c3cccc(c31)C2(c1ccccc1)c1ccccc1.[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2cc(-c4ccccc4)nc32)cccc1-n1c2ccccc2c2cccnc21.
What is the InChIKey of CID 163675758?
The InChIKey is HIPMRQVVWXWLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5O.2C41H29N5O.C40H25N5O.C38H21N5O.C37H21N5O.6Pt/c1-4-13-32(14-5-1)44-31-54-47-39(20-11-27-51-47)37-25-23-35(29-41(37)49(54)53-44)56-36-24-26-42-45(30-36)55-46-38(40-21-12-28-52-48(40)55)19-10-22-43(46)50(42,33-15-6-2-7-16-33)34-17-8-3-9-18-34;1-41(2,3)27-16-18-32-34-15-9-21-43-39(34)46(37(32)22-27)28-12-7-13-29(23-28)47-30-17-19-31-33-14-8-20-42-38(33)45-25-36(26-10-5-4-6-11-26)44-40(45)35(31)24-30;1-41(2,3)27-21-28(46-37-16-8-7-13-32(37)34-15-10-20-43-39(34)46)23-30(22-27)47-29-17-18-31-33-14-9-19-42-38(33)45-25-36(26-11-5-4-6-12-26)44-40(45)35(31)24-29;1-40(2)32-18-16-26(22-35(32)45-36-28(11-6-14-33(36)40)30-13-8-20-42-38(30)45)46-25-15-17-27-29-12-7-19-41-37(29)44-23-34(24-9-4-3-5-10-24)43-39(44)31(27)21-25;1-2-7-23(8-3-1)33-22-42-36-30(11-5-17-39-36)28-16-15-26(20-32(28)38(42)41-33)44-27-14-13-24-19-25-9-4-10-29-31-12-6-18-40-37(31)43(35(25)29)34(24)21-27;1-2-9-24(10-3-1)33-23-41-35-30(14-7-19-38-35)28-18-17-27(22-32(28)37(41)40-33)43-26-12-6-11-25(21-26)42-34-16-5-4-13-29(34)31-15-8-20-39-36(31)42;;;;;;/h1-28,31H;2*4-22,25H,1-3H3;3-20,23H,1-2H3;1-18,22H,19H2;1-20,23H;;;;;;/q6*-2;6*+2.
What are the key properties of CID 163675758?
CID 163675758 has a molecular weight of 4808.62 g/mol, XLogP of 57.34, 23 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163675758 is sourced from PubChem (CID 163675758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).