CID 157073254

C295H198N22OPt5S2Si7 — CID 157073254

IUPAC—
SMILESCC1(C)c2ccccc2Oc2cc3c4ccc([Si](c5[c-]c6c(cc5)c5ccccc5n5ccnc65)(c5ccccc5)c5ccccc5)[c-]c4n(-c4ccccn4)c3cc21.CC1(C)c2ccccc2Sc2cc3c(cc21)c1ccc([Si](c2[c-]c4c(cc2)c2ccccc2n2ccnc42)(c2ccccc2)c2ccccc2)[c-]c1n3-c1ccccn1.CC1(C)c2ccccc2Sc2cc3c4ccc([Si](c5[c-]c6c(cc5)c5ccccc5n5ccnc65)(c5ccccc5)c5ccccc5)[c-]c4n(-c4ccccn4)c3cc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c([Si](c2[c-]c3c(cc2)c2cc4c(cc2n3-c2ccccn2)N(c2ccccc2)c2ccccc2[Si]4(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)ccc2c1c1nccn1c1ccccc21.[c-]1c([Si](c2[c-]c3c(cc2)c2cc4c(cc2n3-c2ccccn2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2N4c2ccccc2)(c2ccccc2)c2ccccc2)ccc2c1c1nccn1c1ccccc21
InChIInChI=1S/2C68H45N5Si2.C53H36N4OSi.2C53H36N4SSi.5Pt/c1-6-22-48(23-7-1)72-61-34-18-19-35-65(61)75(51-28-12-4-13-29-51,52-30-14-5-15-31-52)66-46-58-57-40-38-54(45-62(57)73(63(58)47-64(66)72)67-36-20-21-41-69-67)74(49-24-8-2-9-25-49,50-26-10-3-11-27-50)53-37-39-55-56-32-16-17-33-60(56)71-43-42-70-68(71)59(55)44-53;1-6-22-48(23-7-1)72-61-34-18-19-35-65(61)75(51-28-12-4-13-29-51,52-30-14-5-15-31-52)66-47-63-58(46-64(66)72)57-40-38-54(45-62(57)73(63)67-36-20-21-41-69-67)74(49-24-8-2-9-25-49,50-26-10-3-11-27-50)53-37-39-55-56-32-16-17-33-60(56)71-43-42-70-68(71)59(55)44-53;2*1-53(2)44-20-10-12-22-49(44)58-50-33-42-41-27-25-38(32-47(41)57(48(42)34-45(50)53)51-23-13-14-28-54-51)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;1-53(2)44-20-10-12-22-49(44)58-50-34-48-42(33-45(50)53)41-27-25-38(32-47(41)57(48)51-23-13-14-28-54-51)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;;;;;/h2*1-43,46-47H;3*3-30,33-34H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyKWGYFVLKKNWLBQ-UHFFFAOYSA-N
MW5303.11 g/mol
LogP49.87
Rot. Bonds31

About CID 157073254

CID 157073254 (PubChem CID 157073254) has the molecular formula C295H198N22OPt5S2Si7 and a molecular weight of 5303.11 g/mol.

Molecular Properties

Compound NameCID 157073254
PubChem CID157073254
Molecular FormulaC295H198N22OPt5S2Si7
Molecular Weight5303.11 g/mol
Exact Mass5298.22
IUPAC Name—
SMILESCC1(C)c2ccccc2Oc2cc3c4ccc([Si](c5[c-]c6c(cc5)c5ccccc5n5ccnc65)(c5ccccc5)c5ccccc5)[c-]c4n(-c4ccccn4)c3cc21.CC1(C)c2ccccc2Sc2cc3c(cc21)c1ccc([Si](c2[c-]c4c(cc2)c2ccccc2n2ccnc42)(c2ccccc2)c2ccccc2)[c-]c1n3-c1ccccn1.CC1(C)c2ccccc2Sc2cc3c4ccc([Si](c5[c-]c6c(cc5)c5ccccc5n5ccnc65)(c5ccccc5)c5ccccc5)[c-]c4n(-c4ccccn4)c3cc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c([Si](c2[c-]c3c(cc2)c2cc4c(cc2n3-c2ccccn2)N(c2ccccc2)c2ccccc2[Si]4(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)ccc2c1c1nccn1c1ccccc21.[c-]1c([Si](c2[c-]c3c(cc2)c2cc4c(cc2n3-c2ccccn2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2N4c2ccccc2)(c2ccccc2)c2ccccc2)ccc2c1c1nccn1c1ccccc21
InChIInChI=1S/2C68H45N5Si2.C53H36N4OSi.2C53H36N4SSi.5Pt/c1-6-22-48(23-7-1)72-61-34-18-19-35-65(61)75(51-28-12-4-13-29-51,52-30-14-5-15-31-52)66-46-58-57-40-38-54(45-62(57)73(63(58)47-64(66)72)67-36-20-21-41-69-67)74(49-24-8-2-9-25-49,50-26-10-3-11-27-50)53-37-39-55-56-32-16-17-33-60(56)71-43-42-70-68(71)59(55)44-53;1-6-22-48(23-7-1)72-61-34-18-19-35-65(61)75(51-28-12-4-13-29-51,52-30-14-5-15-31-52)66-47-63-58(46-64(66)72)57-40-38-54(45-62(57)73(63)67-36-20-21-41-69-67)74(49-24-8-2-9-25-49,50-26-10-3-11-27-50)53-37-39-55-56-32-16-17-33-60(56)71-43-42-70-68(71)59(55)44-53;2*1-53(2)44-20-10-12-22-49(44)58-50-33-42-41-27-25-38(32-47(41)57(48(42)34-45(50)53)51-23-13-14-28-54-51)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;1-53(2)44-20-10-12-22-49(44)58-50-34-48-42(33-45(50)53)41-27-25-38(32-47(41)57(48)51-23-13-14-28-54-51)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;;;;;/h2*1-43,46-47H;3*3-30,33-34H,1-2H3;;;;;/q5*-2;5*+2
InChIKeyKWGYFVLKKNWLBQ-UHFFFAOYSA-N
XLogP49.87
TPSA191.31 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds31
Heavy Atoms332
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005303.11
LogP ≤ 549.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

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Frequently Asked Questions

What is the IUPAC name of CID 157073254?
The IUPAC name of CID 157073254 (CID 157073254) is not available.
What is the SMILES notation for CID 157073254?
The canonical SMILES for CID 157073254 is CC1(C)c2ccccc2Oc2cc3c4ccc([Si](c5[c-]c6c(cc5)c5ccccc5n5ccnc65)(c5ccccc5)c5ccccc5)[c-]c4n(-c4ccccn4)c3cc21.CC1(C)c2ccccc2Sc2cc3c(cc21)c1ccc([Si](c2[c-]c4c(cc2)c2ccccc2n2ccnc42)(c2ccccc2)c2ccccc2)[c-]c1n3-c1ccccn1.CC1(C)c2ccccc2Sc2cc3c4ccc([Si](c5[c-]c6c(cc5)c5ccccc5n5ccnc65)(c5ccccc5)c5ccccc5)[c-]c4n(-c4ccccn4)c3cc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c([Si](c2[c-]c3c(cc2)c2cc4c(cc2n3-c2ccccn2)N(c2ccccc2)c2ccccc2[Si]4(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)ccc2c1c1nccn1c1ccccc21.[c-]1c([Si](c2[c-]c3c(cc2)c2cc4c(cc2n3-c2ccccn2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2N4c2ccccc2)(c2ccccc2)c2ccccc2)ccc2c1c1nccn1c1ccccc21.
What is the InChIKey of CID 157073254?
The InChIKey is KWGYFVLKKNWLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C68H45N5Si2.C53H36N4OSi.2C53H36N4SSi.5Pt/c1-6-22-48(23-7-1)72-61-34-18-19-35-65(61)75(51-28-12-4-13-29-51,52-30-14-5-15-31-52)66-46-58-57-40-38-54(45-62(57)73(63(58)47-64(66)72)67-36-20-21-41-69-67)74(49-24-8-2-9-25-49,50-26-10-3-11-27-50)53-37-39-55-56-32-16-17-33-60(56)71-43-42-70-68(71)59(55)44-53;1-6-22-48(23-7-1)72-61-34-18-19-35-65(61)75(51-28-12-4-13-29-51,52-30-14-5-15-31-52)66-47-63-58(46-64(66)72)57-40-38-54(45-62(57)73(63)67-36-20-21-41-69-67)74(49-24-8-2-9-25-49,50-26-10-3-11-27-50)53-37-39-55-56-32-16-17-33-60(56)71-43-42-70-68(71)59(55)44-53;2*1-53(2)44-20-10-12-22-49(44)58-50-33-42-41-27-25-38(32-47(41)57(48(42)34-45(50)53)51-23-13-14-28-54-51)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;1-53(2)44-20-10-12-22-49(44)58-50-34-48-42(33-45(50)53)41-27-25-38(32-47(41)57(48)51-23-13-14-28-54-51)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-30-29-55-52(56)43(39)31-37;;;;;/h2*1-43,46-47H;3*3-30,33-34H,1-2H3;;;;;/q5*-2;5*+2.
What are the key properties of CID 157073254?
CID 157073254 has a molecular weight of 5303.11 g/mol, XLogP of 49.87, 31 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157073254 is sourced from PubChem (CID 157073254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).