CID 159136918

C216H170N26O5Pt5 — CID 159136918

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3c(-c5c(C(C)C)cccc5C(C)C)cccc3n3ccnc43)[c-]c1c1nccn21.CC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3cnccc3n3ccnc43)[c-]c1c1nccn21.CC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3cncnc3n3ccnc43)[c-]c1c1nccn21.CC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3ncccc3n3ccnc43)[c-]c1c1nccn21.CC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3nccnc3n3ccnc43)[c-]c1c1nccn21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C54H48N4O.2C41H31N5O.2C40H30N6O.5Pt/c1-31(2)37-13-9-14-38(32(3)4)49(37)43-17-11-19-47-51(43)41-23-21-35(29-45(41)53-55-25-27-57(47)53)59-36-22-24-42-46(30-36)54-56-26-28-58(54)48-20-12-18-44(52(42)48)50-39(33(5)6)15-10-16-40(50)34(7)8;1-24(2)28-8-5-9-29(25(3)4)37(28)32-10-6-11-35-38(32)30-15-13-26(22-33(30)40-43-18-20-45(35)40)47-27-14-16-31-34(23-27)41-44-19-21-46(41)36-12-7-17-42-39(31)36;1-24(2)28-7-5-8-29(25(3)4)38(28)32-9-6-10-37-39(32)31-14-12-27(22-34(31)41-44-18-20-46(37)41)47-26-11-13-30-33(21-26)40-43-17-19-45(40)36-15-16-42-23-35(30)36;1-23(2)27-7-5-8-28(24(3)4)36(27)31-9-6-10-35-37(31)30-14-12-26(20-33(30)38-42-15-17-45(35)38)47-25-11-13-29-32(19-25)39-43-16-18-46(39)40-34(29)21-41-22-44-40;1-23(2)27-7-5-8-28(24(3)4)35(27)31-9-6-10-34-36(31)29-13-11-25(21-32(29)38-43-17-19-45(34)38)47-26-12-14-30-33(22-26)39-44-18-20-46(39)40-37(30)41-15-16-42-40;;;;;/h9-28,31-34H,1-8H3;5-21,24-25H,1-4H3;5-20,23-25H,1-4H3;5-18,21-24H,1-4H3;5-20,23-24H,1-4H3;;;;;/q5*-2;5*+2
InChIKeyVWEXZSBAELWJIG-UHFFFAOYSA-N
MW4185.30 g/mol
LogP54.78
Rot. Bonds28

About CID 159136918

CID 159136918 (PubChem CID 159136918) has the molecular formula C216H170N26O5Pt5 and a molecular weight of 4185.30 g/mol.

Molecular Properties

Compound NameCID 159136918
PubChem CID159136918
Molecular FormulaC216H170N26O5Pt5
Molecular Weight4185.30 g/mol
Exact Mass4182.21
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3c(-c5c(C(C)C)cccc5C(C)C)cccc3n3ccnc43)[c-]c1c1nccn21.CC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3cnccc3n3ccnc43)[c-]c1c1nccn21.CC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3cncnc3n3ccnc43)[c-]c1c1nccn21.CC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3ncccc3n3ccnc43)[c-]c1c1nccn21.CC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3nccnc3n3ccnc43)[c-]c1c1nccn21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C54H48N4O.2C41H31N5O.2C40H30N6O.5Pt/c1-31(2)37-13-9-14-38(32(3)4)49(37)43-17-11-19-47-51(43)41-23-21-35(29-45(41)53-55-25-27-57(47)53)59-36-22-24-42-46(30-36)54-56-26-28-58(54)48-20-12-18-44(52(42)48)50-39(33(5)6)15-10-16-40(50)34(7)8;1-24(2)28-8-5-9-29(25(3)4)37(28)32-10-6-11-35-38(32)30-15-13-26(22-33(30)40-43-18-20-45(35)40)47-27-14-16-31-34(23-27)41-44-19-21-46(41)36-12-7-17-42-39(31)36;1-24(2)28-7-5-8-29(25(3)4)38(28)32-9-6-10-37-39(32)31-14-12-27(22-34(31)41-44-18-20-46(37)41)47-26-11-13-30-33(21-26)40-43-17-19-45(40)36-15-16-42-23-35(30)36;1-23(2)27-7-5-8-28(24(3)4)36(27)31-9-6-10-35-37(31)30-14-12-26(20-33(30)38-42-15-17-45(35)38)47-25-11-13-29-32(19-25)39-43-16-18-46(39)40-34(29)21-41-22-44-40;1-23(2)27-7-5-8-28(24(3)4)35(27)31-9-6-10-34-36(31)29-13-11-25(21-32(29)38-43-17-19-45(34)38)47-26-12-14-30-33(22-26)39-44-18-20-46(39)40-37(30)41-15-16-42-40;;;;;/h9-28,31-34H,1-8H3;5-21,24-25H,1-4H3;5-20,23-25H,1-4H3;5-18,21-24H,1-4H3;5-20,23-24H,1-4H3;;;;;/q5*-2;5*+2
InChIKeyVWEXZSBAELWJIG-UHFFFAOYSA-N
XLogP54.78
TPSA296.49 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004185.30
LogP ≤ 554.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 154610679
CID 154610679
5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611397
CID 154611242
CID 154611242
CID 154610823
CID 154610823
CID 154610649
CID 154610649
CID 158217790
CID 158217790
CID 154610773
CID 154610773
9-[7-[2,6-di(propan-2-yl)phenyl]imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,15,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
CID 154611144
8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610895
CID 164703913
CID 164703913
11-[[5,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-5,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611612
11-[[7,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-7,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611480

Frequently Asked Questions

What is the IUPAC name of CID 159136918?
The IUPAC name of CID 159136918 (CID 159136918) is not available.
What is the SMILES notation for CID 159136918?
The canonical SMILES for CID 159136918 is CC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3c(-c5c(C(C)C)cccc5C(C)C)cccc3n3ccnc43)[c-]c1c1nccn21.CC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3cnccc3n3ccnc43)[c-]c1c1nccn21.CC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3cncnc3n3ccnc43)[c-]c1c1nccn21.CC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3ncccc3n3ccnc43)[c-]c1c1nccn21.CC(C)c1cccc(C(C)C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3nccnc3n3ccnc43)[c-]c1c1nccn21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 159136918?
The InChIKey is VWEXZSBAELWJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N4O.2C41H31N5O.2C40H30N6O.5Pt/c1-31(2)37-13-9-14-38(32(3)4)49(37)43-17-11-19-47-51(43)41-23-21-35(29-45(41)53-55-25-27-57(47)53)59-36-22-24-42-46(30-36)54-56-26-28-58(54)48-20-12-18-44(52(42)48)50-39(33(5)6)15-10-16-40(50)34(7)8;1-24(2)28-8-5-9-29(25(3)4)37(28)32-10-6-11-35-38(32)30-15-13-26(22-33(30)40-43-18-20-45(35)40)47-27-14-16-31-34(23-27)41-44-19-21-46(41)36-12-7-17-42-39(31)36;1-24(2)28-7-5-8-29(25(3)4)38(28)32-9-6-10-37-39(32)31-14-12-27(22-34(31)41-44-18-20-46(37)41)47-26-11-13-30-33(21-26)40-43-17-19-45(40)36-15-16-42-23-35(30)36;1-23(2)27-7-5-8-28(24(3)4)36(27)31-9-6-10-35-37(31)30-14-12-26(20-33(30)38-42-15-17-45(35)38)47-25-11-13-29-32(19-25)39-43-16-18-46(39)40-34(29)21-41-22-44-40;1-23(2)27-7-5-8-28(24(3)4)35(27)31-9-6-10-34-36(31)29-13-11-25(21-32(29)38-43-17-19-45(34)38)47-26-12-14-30-33(22-26)39-44-18-20-46(39)40-37(30)41-15-16-42-40;;;;;/h9-28,31-34H,1-8H3;5-21,24-25H,1-4H3;5-20,23-25H,1-4H3;5-18,21-24H,1-4H3;5-20,23-24H,1-4H3;;;;;/q5*-2;5*+2.
What are the key properties of CID 159136918?
CID 159136918 has a molecular weight of 4185.30 g/mol, XLogP of 54.78, 28 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159136918 is sourced from PubChem (CID 159136918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).