CID 158380762

C148H100N12O4Pt4 — CID 158380762

IUPAC—
SMILESCC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cccc(n1)-c1cccc(n1)Oc1[c-]c-2ccc1.CC(C)(C)c1cc2nc(c1)-c1cc(-c3ccccc3)cc(n1)-c1cccc3c1[n-]c1c(cccc13)-c1[c-]c(ccc1)O2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c2cccc1-c1cccc3c1[n-]c1c(cccc13)-c1cc(-c3ccccc3)cc(n1)-c1cc(-c3ccccc3)cc(n1)O2.[c-]1c2cccc1-c1cccc3c1[n-]c1c(cccc13)-c1cccc(n1)-c1cc(-c3ccccc3)cc(n1)O2
InChIInChI=1S/C40H23N3O.C38H27N3O.C36H31N3O.C34H19N3O.4Pt/c1-3-10-25(11-4-1)28-21-35-34-19-9-18-33-32-17-8-16-31(39(32)43-40(33)34)27-14-7-15-30(20-27)44-38-24-29(26-12-5-2-6-13-26)23-37(42-38)36(22-28)41-35;1-38(2,3)26-21-34-33-20-25(23-10-5-4-6-11-23)19-32(39-33)31-17-9-16-30-29-15-8-14-28(36(29)41-37(30)31)24-12-7-13-27(18-24)42-35(22-26)40-34;1-35(2,3)22-17-25-21-10-7-11-24(16-21)40-32-15-9-14-31(38-32)30-13-8-12-29(37-30)28-20-23(36(4,5)6)19-27-26(18-22)33(25)39-34(27)28;1-2-8-21(9-3-1)23-19-31-30-17-7-16-29(35-30)28-15-6-14-27-26-13-5-12-25(33(26)37-34(27)28)22-10-4-11-24(18-22)38-32(20-23)36-31;;;;/h1-19,21-24H;4-17,19-22H,1-3H3;7-15,17-20H,1-6H3;1-17,19-20H;;;;/q4*-2;4*+2
InChIKeyZVUNPGPAKGUCIL-UHFFFAOYSA-N
MW2890.82 g/mol
LogP37.14
Rot. Bonds4

About CID 158380762

CID 158380762 (PubChem CID 158380762) has the molecular formula C148H100N12O4Pt4 and a molecular weight of 2890.82 g/mol.

Molecular Properties

Compound NameCID 158380762
PubChem CID158380762
Molecular FormulaC148H100N12O4Pt4
Molecular Weight2890.82 g/mol
Exact Mass2888.66
IUPAC Name—
SMILESCC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cccc(n1)-c1cccc(n1)Oc1[c-]c-2ccc1.CC(C)(C)c1cc2nc(c1)-c1cc(-c3ccccc3)cc(n1)-c1cccc3c1[n-]c1c(cccc13)-c1[c-]c(ccc1)O2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c2cccc1-c1cccc3c1[n-]c1c(cccc13)-c1cc(-c3ccccc3)cc(n1)-c1cc(-c3ccccc3)cc(n1)O2.[c-]1c2cccc1-c1cccc3c1[n-]c1c(cccc13)-c1cccc(n1)-c1cc(-c3ccccc3)cc(n1)O2
InChIInChI=1S/C40H23N3O.C38H27N3O.C36H31N3O.C34H19N3O.4Pt/c1-3-10-25(11-4-1)28-21-35-34-19-9-18-33-32-17-8-16-31(39(32)43-40(33)34)27-14-7-15-30(20-27)44-38-24-29(26-12-5-2-6-13-26)23-37(42-38)36(22-28)41-35;1-38(2,3)26-21-34-33-20-25(23-10-5-4-6-11-23)19-32(39-33)31-17-9-16-30-29-15-8-14-28(36(29)41-37(30)31)24-12-7-13-27(18-24)42-35(22-26)40-34;1-35(2,3)22-17-25-21-10-7-11-24(16-21)40-32-15-9-14-31(38-32)30-13-8-12-29(37-30)28-20-23(36(4,5)6)19-27-26(18-22)33(25)39-34(27)28;1-2-8-21(9-3-1)23-19-31-30-17-7-16-29(35-30)28-15-6-14-27-26-13-5-12-25(33(26)37-34(27)28)22-10-4-11-24(18-22)38-32(20-23)36-31;;;;/h1-19,21-24H;4-17,19-22H,1-3H3;7-15,17-20H,1-6H3;1-17,19-20H;;;;/q4*-2;4*+2
InChIKeyZVUNPGPAKGUCIL-UHFFFAOYSA-N
XLogP37.14
TPSA196.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002890.82
LogP ≤ 537.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze CID 158380762 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 140933006
CID 140933006
3,6-ditert-butyl-1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;3,6-diphenyl-1-(4-phenyl-6-phenyl-2-pyridinyl)-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;1-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]-8-(4-phenyl-2-pyridinyl)carbazol-9-ide;tris(platinum(2+))
CID 160803281
CID 161186451
CID 161186451
3,6-ditert-butyl-1-(3-tert-butylbenzene-6-id-1-yl)-8-[4-phenyl-6-(4-phenyl-2-pyridinyl)-2-pyridinyl]carbazol-9-ide;3,6-ditert-butyl-1-(5-methyl-4-phenyl-2-pyridinyl)-8-[3-(5-methyl-4-phenyl-2-pyridinyl)benzene-2-id-1-yl]carbazol-9-ide;3,6-ditert-butyl-1-(3-phenylbenzene-6-id-1-yl)-8-[4-phenyl-6-(4-phenyl-2-pyridinyl)-2-pyridinyl]carbazol-9-ide;3,6-ditert-butyl-1-(3-phenylbenzene-6-id-1-yl)-8-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide;3,6-ditert-butyl-1-phenyl-8-[4-phenyl-6-(4-phenyl-2-pyridinyl)-2-pyridinyl]carbazol-9-ide;3,6-ditert-butyl-1-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-8-pyridin-2-ylcarbazol-9-ide;hexakis(platinum(2+))
CID 160865788
3,6-ditert-butyl-1-methyl-8-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;nickel(2+)
CID 153499231
4,12-ditert-butyl-22-phenyl-8,29,30,31-tetrazaheptacyclo[23.3.1.115,19.120,24.02,7.06,10.09,14]hentriaconta-1(29),2,4,6,9,11,13,15(31),16,18,20(30),21,23,25,27-pentadecaene
CID 140932974
3,6-ditert-butyl-1-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-naphthalen-1-ylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-naphthalen-1-ylbenzimidazol-2-yl]carbazol-9-ide;3,6-ditert-butyl-1-[1-naphthalen-1-yl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;tris(platinum(2+))
CID 157215585
22-tert-butyl-4,12,17,27-tetraphenyl-8,29,30,31-tetrazaheptacyclo[23.3.1.115,19.120,24.02,7.06,10.09,14]hentriaconta-1(29),2,4,6,9,11,13,15(31),16,18,20(30),21,23,25,27-pentadecaene
CID 140932860
N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-dimethylcarbazol-9-id-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-N-naphthalen-1-ylpyridin-2-amine;platinum(2+)
CID 140854145
platinum;1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide;yttrium
CID 164788746
2-[4-tert-butyl-6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]phenol;nickel
CID 153499003
3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902252

Frequently Asked Questions

What is the IUPAC name of CID 158380762?
The IUPAC name of CID 158380762 (CID 158380762) is not available.
What is the SMILES notation for CID 158380762?
The canonical SMILES for CID 158380762 is CC(C)(C)c1cc2c3[n-]c4c(cc(C(C)(C)C)cc4c3c1)-c1cccc(n1)-c1cccc(n1)Oc1[c-]c-2ccc1.CC(C)(C)c1cc2nc(c1)-c1cc(-c3ccccc3)cc(n1)-c1cccc3c1[n-]c1c(cccc13)-c1[c-]c(ccc1)O2.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c2cccc1-c1cccc3c1[n-]c1c(cccc13)-c1cc(-c3ccccc3)cc(n1)-c1cc(-c3ccccc3)cc(n1)O2.[c-]1c2cccc1-c1cccc3c1[n-]c1c(cccc13)-c1cccc(n1)-c1cc(-c3ccccc3)cc(n1)O2.
What is the InChIKey of CID 158380762?
The InChIKey is ZVUNPGPAKGUCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O.C38H27N3O.C36H31N3O.C34H19N3O.4Pt/c1-3-10-25(11-4-1)28-21-35-34-19-9-18-33-32-17-8-16-31(39(32)43-40(33)34)27-14-7-15-30(20-27)44-38-24-29(26-12-5-2-6-13-26)23-37(42-38)36(22-28)41-35;1-38(2,3)26-21-34-33-20-25(23-10-5-4-6-11-23)19-32(39-33)31-17-9-16-30-29-15-8-14-28(36(29)41-37(30)31)24-12-7-13-27(18-24)42-35(22-26)40-34;1-35(2,3)22-17-25-21-10-7-11-24(16-21)40-32-15-9-14-31(38-32)30-13-8-12-29(37-30)28-20-23(36(4,5)6)19-27-26(18-22)33(25)39-34(27)28;1-2-8-21(9-3-1)23-19-31-30-17-7-16-29(35-30)28-15-6-14-27-26-13-5-12-25(33(26)37-34(27)28)22-10-4-11-24(18-22)38-32(20-23)36-31;;;;/h1-19,21-24H;4-17,19-22H,1-3H3;7-15,17-20H,1-6H3;1-17,19-20H;;;;/q4*-2;4*+2.
What are the key properties of CID 158380762?
CID 158380762 has a molecular weight of 2890.82 g/mol, XLogP of 37.14, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158380762 is sourced from PubChem (CID 158380762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).