CID 162189177

C377H255N27O17Pt10Si2-8 — CID 162189177

IUPAC—
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.O=C(O)c1ccccn1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1c2c(n(-c3ccccc3)c1-c1ccccc1)C1(c3ccccc3-c3ccccc31)c1cccnc1-2.[c-]1cc(-c2cccc3ccccc23)cc2c1-c1ncccc1C21c2ccncc2-c2cnccc21.[c-]1cc(-c2cccc3ccccc23)cc2c1-c1ncccc1C21c2ccncc2-c2cnccc21.[c-]1cc(-c2cccc3ccccc23)cc2c1-c1ncccc1[Si]21c2ccccc2-c2ccccc21.[c-]1cc(-c2ccccc2)cc2c1-c1ncccc1C21c2ccncc2-c2cnccc21.[c-]1cc(-c2ccccc2)cc2c1-c1ncccc1C21c2ccncc2-c2cnccc21.[c-]1cc(-n2c3ccccc3c3ccccc32)cc2c1-c1ncccc1[Si]21c2ccccc2-c2ccccc21.[c-]1ccnc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.[c-]1ccnc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.[c-]1cncc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.[c-]1coc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.[c-]1nccc2c1-c1ncccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C35H21N2Si.C34H21N2.C33H20NSi.2C32H18N3.2C28H16N3.4C23H13N2.C22H12NO.C6H5NO2.7C5H8O2.10Pt/c1-5-14-29-24(10-1)25-11-2-6-15-30(25)37(29)23-19-20-28-34(22-23)38(33-18-9-21-36-35(28)33)31-16-7-3-12-26(31)27-13-4-8-17-32(27)38;1-3-12-23(13-4-1)31-22-27-32-30(20-11-21-35-32)34(33(27)36(31)24-14-5-2-6-15-24)28-18-9-7-16-25(28)26-17-8-10-19-29(26)34;1-2-11-24-22(9-1)10-7-14-25(24)23-18-19-28-32(21-23)35(31-17-8-20-34-33(28)31)29-15-5-3-12-26(29)27-13-4-6-16-30(27)35;2*1-2-7-22-20(5-1)6-3-8-23(22)21-10-11-24-30(17-21)32(29-9-4-14-35-31(24)29)27-12-15-33-18-25(27)26-19-34-16-13-28(26)32;2*1-2-5-18(6-3-1)19-8-9-20-26(15-19)28(25-7-4-12-31-27(20)25)23-10-13-29-16-21(23)22-17-30-14-11-24(22)28;2*1-3-10-18-15(7-1)16-8-2-4-11-19(16)23(18)20-12-6-13-24-21(20)17-9-5-14-25-22(17)23;1-3-8-18-15(6-1)16-7-2-4-9-19(16)23(18)20-11-13-24-14-17(20)22-21(23)10-5-12-25-22;1-3-8-18-15(6-1)16-7-2-4-9-19(16)23(18)20-10-5-12-25-22(20)17-11-13-24-14-21(17)23;1-3-8-17-14(6-1)15-7-2-4-9-18(15)22(17)19-10-5-12-23-20(19)16-11-13-24-21(16)22;8-6(9)5-3-1-2-4-7-5;7*1-4(6)3-5(2)7;;;;;;;;;;/h1-19,21-22H;1-21H;1-18,20-21H;2*1-10,12-19H;2*1-8,10-17H;2*1-8,10-14H;1-13H;1-10,12-14H;1-10,12-13H;1-4H,(H,8,9);7*3,6H,1-2H3;;;;;;;;;;/q12*-1;;;;;;;;;;;;;;;;;2*+2
InChIKeyVLQMIENGADKBEX-UHFFFAOYSA-N
MW7442.31 g/mol
LogP74.39
Rot. Bonds16

About CID 162189177

CID 162189177 (PubChem CID 162189177) has the molecular formula C377H255N27O17Pt10Si2-8 and a molecular weight of 7442.31 g/mol.

Molecular Properties

Compound NameCID 162189177
PubChem CID162189177
Molecular FormulaC377H255N27O17Pt10Si2-8
Molecular Weight7442.31 g/mol
Exact Mass7436.60
IUPAC Name—
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.O=C(O)c1ccccn1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1c2c(n(-c3ccccc3)c1-c1ccccc1)C1(c3ccccc3-c3ccccc31)c1cccnc1-2.[c-]1cc(-c2cccc3ccccc23)cc2c1-c1ncccc1C21c2ccncc2-c2cnccc21.[c-]1cc(-c2cccc3ccccc23)cc2c1-c1ncccc1C21c2ccncc2-c2cnccc21.[c-]1cc(-c2cccc3ccccc23)cc2c1-c1ncccc1[Si]21c2ccccc2-c2ccccc21.[c-]1cc(-c2ccccc2)cc2c1-c1ncccc1C21c2ccncc2-c2cnccc21.[c-]1cc(-c2ccccc2)cc2c1-c1ncccc1C21c2ccncc2-c2cnccc21.[c-]1cc(-n2c3ccccc3c3ccccc32)cc2c1-c1ncccc1[Si]21c2ccccc2-c2ccccc21.[c-]1ccnc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.[c-]1ccnc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.[c-]1cncc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.[c-]1coc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.[c-]1nccc2c1-c1ncccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C35H21N2Si.C34H21N2.C33H20NSi.2C32H18N3.2C28H16N3.4C23H13N2.C22H12NO.C6H5NO2.7C5H8O2.10Pt/c1-5-14-29-24(10-1)25-11-2-6-15-30(25)37(29)23-19-20-28-34(22-23)38(33-18-9-21-36-35(28)33)31-16-7-3-12-26(31)27-13-4-8-17-32(27)38;1-3-12-23(13-4-1)31-22-27-32-30(20-11-21-35-32)34(33(27)36(31)24-14-5-2-6-15-24)28-18-9-7-16-25(28)26-17-8-10-19-29(26)34;1-2-11-24-22(9-1)10-7-14-25(24)23-18-19-28-32(21-23)35(31-17-8-20-34-33(28)31)29-15-5-3-12-26(29)27-13-4-6-16-30(27)35;2*1-2-7-22-20(5-1)6-3-8-23(22)21-10-11-24-30(17-21)32(29-9-4-14-35-31(24)29)27-12-15-33-18-25(27)26-19-34-16-13-28(26)32;2*1-2-5-18(6-3-1)19-8-9-20-26(15-19)28(25-7-4-12-31-27(20)25)23-10-13-29-16-21(23)22-17-30-14-11-24(22)28;2*1-3-10-18-15(7-1)16-8-2-4-11-19(16)23(18)20-12-6-13-24-21(20)17-9-5-14-25-22(17)23;1-3-8-18-15(6-1)16-7-2-4-9-19(16)23(18)20-11-13-24-14-17(20)22-21(23)10-5-12-25-22;1-3-8-18-15(6-1)16-7-2-4-9-19(16)23(18)20-10-5-12-25-22(20)17-11-13-24-14-21(17)23;1-3-8-17-14(6-1)15-7-2-4-9-18(15)22(17)19-10-5-12-23-20(19)16-11-13-24-21(16)22;8-6(9)5-3-1-2-4-7-5;7*1-4(6)3-5(2)7;;;;;;;;;;/h1-19,21-22H;1-21H;1-18,20-21H;2*1-10,12-19H;2*1-8,10-17H;2*1-8,10-14H;1-13H;1-10,12-14H;1-10,12-13H;1-4H,(H,8,9);7*3,6H,1-2H3;;;;;;;;;;/q12*-1;;;;;;;;;;;;;;;;;2*+2
InChIKeyVLQMIENGADKBEX-UHFFFAOYSA-N
XLogP74.39
TPSA643.65 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds16
Heavy Atoms433
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007442.31
LogP ≤ 574.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

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Related Compounds

7-carbazol-9-ylspiro[9H-[1]benzosilolo[3,2-b]pyridin-9-ide-5,5'-benzo[b][1]benzosilole];7-(3,6-dimethylcarbazol-9-yl)spiro[9H-[1]benzosilolo[3,2-b]pyridin-9-ide-5,5'-benzo[b][1]benzosilole];N,N-diphenylspiro[9H-[1]benzosilolo[3,2-b]pyridin-9-ide-5,5'-benzo[b][1]benzosilole]-7-amine;octakis(iridium);7-naphthalen-1-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];7-phenylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];7-pyrido[4,3-b]indol-5-ylspiro[9H-[1]benzosilolo[3,2-b]pyridin-9-ide-5,5'-benzo[b][1]benzosilole];7-(trifluoromethyl)spiro[9H-[1]benzosilolo[3,2-b]pyridin-9-ide-5,5'-benzo[b][1]benzosilole];7-(2,4,6-trimethylphenyl)spiro[9H-[1]benzosilolo[3,2-b]pyridin-9-ide-5,5'-benzo[b][1]benzosilole]
CID 158319048
7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine
CID 158615516
CID 157159390
CID 157159390
CID 162053986
CID 162053986
CID 164814872
CID 164814872
7-carbazol-9-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59459719
9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid
CID 162091827
7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole]
CID 134335959
3',5'-bis(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146656087
N-naphthalen-1-yl-9-phenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine;9-phenyl-N-(2-phenylphenyl)-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine;9-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 158776654
2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium
CID 161403093
N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90195094

Frequently Asked Questions

What is the IUPAC name of CID 162189177?
The IUPAC name of CID 162189177 (CID 162189177) is not available.
What is the SMILES notation for CID 162189177?
The canonical SMILES for CID 162189177 is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.O=C(O)c1ccccn1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1c2c(n(-c3ccccc3)c1-c1ccccc1)C1(c3ccccc3-c3ccccc31)c1cccnc1-2.[c-]1cc(-c2cccc3ccccc23)cc2c1-c1ncccc1C21c2ccncc2-c2cnccc21.[c-]1cc(-c2cccc3ccccc23)cc2c1-c1ncccc1C21c2ccncc2-c2cnccc21.[c-]1cc(-c2cccc3ccccc23)cc2c1-c1ncccc1[Si]21c2ccccc2-c2ccccc21.[c-]1cc(-c2ccccc2)cc2c1-c1ncccc1C21c2ccncc2-c2cnccc21.[c-]1cc(-c2ccccc2)cc2c1-c1ncccc1C21c2ccncc2-c2cnccc21.[c-]1cc(-n2c3ccccc3c3ccccc32)cc2c1-c1ncccc1[Si]21c2ccccc2-c2ccccc21.[c-]1ccnc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.[c-]1ccnc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.[c-]1cncc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.[c-]1coc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.[c-]1nccc2c1-c1ncccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of CID 162189177?
The InChIKey is VLQMIENGADKBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N2Si.C34H21N2.C33H20NSi.2C32H18N3.2C28H16N3.4C23H13N2.C22H12NO.C6H5NO2.7C5H8O2.10Pt/c1-5-14-29-24(10-1)25-11-2-6-15-30(25)37(29)23-19-20-28-34(22-23)38(33-18-9-21-36-35(28)33)31-16-7-3-12-26(31)27-13-4-8-17-32(27)38;1-3-12-23(13-4-1)31-22-27-32-30(20-11-21-35-32)34(33(27)36(31)24-14-5-2-6-15-24)28-18-9-7-16-25(28)26-17-8-10-19-29(26)34;1-2-11-24-22(9-1)10-7-14-25(24)23-18-19-28-32(21-23)35(31-17-8-20-34-33(28)31)29-15-5-3-12-26(29)27-13-4-6-16-30(27)35;2*1-2-7-22-20(5-1)6-3-8-23(22)21-10-11-24-30(17-21)32(29-9-4-14-35-31(24)29)27-12-15-33-18-25(27)26-19-34-16-13-28(26)32;2*1-2-5-18(6-3-1)19-8-9-20-26(15-19)28(25-7-4-12-31-27(20)25)23-10-13-29-16-21(23)22-17-30-14-11-24(22)28;2*1-3-10-18-15(7-1)16-8-2-4-11-19(16)23(18)20-12-6-13-24-21(20)17-9-5-14-25-22(17)23;1-3-8-18-15(6-1)16-7-2-4-9-19(16)23(18)20-11-13-24-14-17(20)22-21(23)10-5-12-25-22;1-3-8-18-15(6-1)16-7-2-4-9-19(16)23(18)20-10-5-12-25-22(20)17-11-13-24-14-21(17)23;1-3-8-17-14(6-1)15-7-2-4-9-18(15)22(17)19-10-5-12-23-20(19)16-11-13-24-21(16)22;8-6(9)5-3-1-2-4-7-5;7*1-4(6)3-5(2)7;;;;;;;;;;/h1-19,21-22H;1-21H;1-18,20-21H;2*1-10,12-19H;2*1-8,10-17H;2*1-8,10-14H;1-13H;1-10,12-14H;1-10,12-13H;1-4H,(H,8,9);7*3,6H,1-2H3;;;;;;;;;;/q12*-1;;;;;;;;;;;;;;;;;2*+2.
What are the key properties of CID 162189177?
CID 162189177 has a molecular weight of 7442.31 g/mol, XLogP of 74.39, 16 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162189177 is sourced from PubChem (CID 162189177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).