CID 163510232

C196H126N14O2Pd4Si4 — CID 163510232

IUPAC—
SMILES[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1c(ccc3c4ccccc4n(-c4ccccc4)c31)n2-c1ccccn1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1c3c(ccc1n2-c1ccccn1)oc1ccccc13)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1c3c4ccccc4n(-c4ccccc4)c3ccc1n2-c1ccccn1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1c3oc4ccccc4c3ccc1n2-c1ccccn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C52H34N4Si.2C46H29N3OSi.4Pd/c1-4-18-38(19-5-1)55-47-27-11-10-25-43(47)44-31-32-48-51(52(44)55)45-30-29-42(36-49(45)56(48)50-28-13-15-34-54-50)57(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-17-37(35-41)46-26-12-14-33-53-46;1-4-18-38(19-5-1)55-46-27-11-10-25-43(46)51-47(55)31-32-48-52(51)44-30-29-42(36-49(44)56(48)50-28-13-15-34-54-50)57(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-17-37(35-41)45-26-12-14-33-53-45;1-3-15-33(16-4-1)51(34-17-5-2-6-18-34,35-19-13-14-32(30-35)39-21-9-11-28-47-39)36-24-25-37-41(31-36)49(44-23-10-12-29-48-44)40-26-27-43-46(45(37)40)38-20-7-8-22-42(38)50-43;1-3-15-33(16-4-1)51(34-17-5-2-6-18-34,35-19-13-14-32(30-35)40-21-9-11-28-47-40)36-24-25-39-42(31-36)49(44-23-10-12-29-48-44)41-27-26-38-37-20-7-8-22-43(37)50-46(38)45(39)41;;;;/h2*1-34H;2*1-29H;;;;/q4*-2;4*+2
InChIKeyZSFANHXGYJCCAG-UHFFFAOYSA-N
MW3247.28 g/mol
LogP34.86
Rot. Bonds26

About CID 163510232

CID 163510232 (PubChem CID 163510232) has the molecular formula C196H126N14O2Pd4Si4 and a molecular weight of 3247.28 g/mol.

Molecular Properties

Compound NameCID 163510232
PubChem CID163510232
Molecular FormulaC196H126N14O2Pd4Si4
Molecular Weight3247.28 g/mol
Exact Mass3242.54
IUPAC Name—
SMILES[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1c(ccc3c4ccccc4n(-c4ccccc4)c31)n2-c1ccccn1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1c3c(ccc1n2-c1ccccn1)oc1ccccc13)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1c3c4ccccc4n(-c4ccccc4)c3ccc1n2-c1ccccn1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1c3oc4ccccc4c3ccc1n2-c1ccccn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C52H34N4Si.2C46H29N3OSi.4Pd/c1-4-18-38(19-5-1)55-47-27-11-10-25-43(47)44-31-32-48-51(52(44)55)45-30-29-42(36-49(45)56(48)50-28-13-15-34-54-50)57(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-17-37(35-41)46-26-12-14-33-53-46;1-4-18-38(19-5-1)55-46-27-11-10-25-43(46)51-47(55)31-32-48-52(51)44-30-29-42(36-49(44)56(48)50-28-13-15-34-54-50)57(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-17-37(35-41)45-26-12-14-33-53-45;1-3-15-33(16-4-1)51(34-17-5-2-6-18-34,35-19-13-14-32(30-35)39-21-9-11-28-47-39)36-24-25-37-41(31-36)49(44-23-10-12-29-48-44)40-26-27-43-46(45(37)40)38-20-7-8-22-42(38)50-43;1-3-15-33(16-4-1)51(34-17-5-2-6-18-34,35-19-13-14-32(30-35)40-21-9-11-28-47-40)36-24-25-39-42(31-36)49(44-23-10-12-29-48-44)41-27-26-38-37-20-7-8-22-43(37)50-46(38)45(39)41;;;;/h2*1-34H;2*1-29H;;;;/q4*-2;4*+2
InChIKeyZSFANHXGYJCCAG-UHFFFAOYSA-N
XLogP34.86
TPSA158.98 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003247.28
LogP ≤ 534.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenylsilane;[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenylsilane
CID 158577794
CID 163513488
CID 163513488
[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenyl-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)benzene-2-id-1-yl]silane;[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenyl-[3-(20-phenyl-3,5,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-3-yl)benzene-2-id-1-yl]silane;[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-diphenyl-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)benzene-2-id-1-yl]silane;[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)benzene-2-id-1-yl]-diphenylsilane;[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-[3-(20-oxa-3,5-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-3-yl)benzene-2-id-1-yl]-diphenylsilane;pentakis(palladium(2+))
CID 159328757
15,24-diphenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
CID 126679108
21-phenyl-18-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635175
CID 161039446
CID 161039446
[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842671
(3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane
CID 123907174
4,15-diphenyl-25-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene;10,15-diphenyl-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene;15,18-diphenyl-11-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;15,25-diphenyl-4-oxa-15,25-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene
CID 158966699
12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-(7-phenyl-5-pyridin-2-yl-4H-indolo[2,3-b]carbazol-4-id-3-yl)silane;12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-(11-phenyl-5-pyridin-2-yl-4H-indolo[3,2-b]carbazol-4-id-3-yl)silane;12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-(7-pyridin-2-yl-8H-[1]benzofuro[2,3-b]carbazol-8-id-9-yl)silane;12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-(11-pyridin-2-yl-10H-[1]benzofuro[3,2-b]carbazol-10-id-9-yl)silane;tetrakis(platinum(2+))
CID 163959958
12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazole;14-naphthalen-1-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-phenyl-[1]benzofuro[3,2-a]carbazole;bis(7-phenyl-[1]benzofuro[2,3-b]carbazole);5-phenyl-[1]benzofuro[3,2-c]carbazole;14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158446941
15,24-diphenyl-12-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679111

Frequently Asked Questions

What is the IUPAC name of CID 163510232?
The IUPAC name of CID 163510232 (CID 163510232) is not available.
What is the SMILES notation for CID 163510232?
The canonical SMILES for CID 163510232 is [Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1c(ccc3c4ccccc4n(-c4ccccc4)c31)n2-c1ccccn1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1c3c(ccc1n2-c1ccccn1)oc1ccccc13)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1c3c4ccccc4n(-c4ccccc4)c3ccc1n2-c1ccccn1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1c3oc4ccccc4c3ccc1n2-c1ccccn1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 163510232?
The InChIKey is ZSFANHXGYJCCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H34N4Si.2C46H29N3OSi.4Pd/c1-4-18-38(19-5-1)55-47-27-11-10-25-43(47)44-31-32-48-51(52(44)55)45-30-29-42(36-49(45)56(48)50-28-13-15-34-54-50)57(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-17-37(35-41)46-26-12-14-33-53-46;1-4-18-38(19-5-1)55-46-27-11-10-25-43(46)51-47(55)31-32-48-52(51)44-30-29-42(36-49(44)56(48)50-28-13-15-34-54-50)57(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-17-37(35-41)45-26-12-14-33-53-45;1-3-15-33(16-4-1)51(34-17-5-2-6-18-34,35-19-13-14-32(30-35)39-21-9-11-28-47-39)36-24-25-37-41(31-36)49(44-23-10-12-29-48-44)40-26-27-43-46(45(37)40)38-20-7-8-22-42(38)50-43;1-3-15-33(16-4-1)51(34-17-5-2-6-18-34,35-19-13-14-32(30-35)40-21-9-11-28-47-40)36-24-25-39-42(31-36)49(44-23-10-12-29-48-44)41-27-26-38-37-20-7-8-22-43(37)50-46(38)45(39)41;;;;/h2*1-34H;2*1-29H;;;;/q4*-2;4*+2.
What are the key properties of CID 163510232?
CID 163510232 has a molecular weight of 3247.28 g/mol, XLogP of 34.86, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163510232 is sourced from PubChem (CID 163510232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).