CID 165384633

C50H55N5Pt — CID 165384633

IUPAC—
SMILESCC1=C(C)N(C2CCC(C)CC2)[CH-]N1c1[c-]c(C2(C)c3[c-]c(N4[CH-]N(C5CCC(C)CC5)C(C)=C4C)ccc3-n3c4ccccc4c4cccc2c43)ccc1.[Pt+4]
InChIInChI=1S/C50H55N5.Pt/c1-32-18-22-39(23-19-32)51-30-53(36(5)34(51)3)41-13-10-12-38(28-41)50(7)45-16-11-15-44-43-14-8-9-17-47(43)55(49(44)45)48-27-26-42(29-46(48)50)54-31-52(35(4)37(54)6)40-24-20-33(2)21-25-40;/h8-17,26-27,30-33,39-40H,18-25H2,1-7H3;/q-4;+4
InChIKeyJOOLINRSUXWWOF-UHFFFAOYSA-N
MW921.10 g/mol
LogP12.19
Rot. Bonds5

About CID 165384633

CID 165384633 (PubChem CID 165384633) has the molecular formula C50H55N5Pt and a molecular weight of 921.10 g/mol.

Molecular Properties

Compound NameCID 165384633
PubChem CID165384633
Molecular FormulaC50H55N5Pt
Molecular Weight921.10 g/mol
Exact Mass920.41
IUPAC Name—
SMILESCC1=C(C)N(C2CCC(C)CC2)[CH-]N1c1[c-]c(C2(C)c3[c-]c(N4[CH-]N(C5CCC(C)CC5)C(C)=C4C)ccc3-n3c4ccccc4c4cccc2c43)ccc1.[Pt+4]
InChIInChI=1S/C50H55N5.Pt/c1-32-18-22-39(23-19-32)51-30-53(36(5)34(51)3)41-13-10-12-38(28-41)50(7)45-16-11-15-44-43-14-8-9-17-47(43)55(49(44)45)48-27-26-42(29-46(48)50)54-31-52(35(4)37(54)6)40-24-20-33(2)21-25-40;/h8-17,26-27,30-33,39-40H,18-25H2,1-7H3;/q-4;+4
InChIKeyJOOLINRSUXWWOF-UHFFFAOYSA-N
XLogP12.19
TPSA17.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.10
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 165384633?
The IUPAC name of CID 165384633 (CID 165384633) is not available.
What is the SMILES notation for CID 165384633?
The canonical SMILES for CID 165384633 is CC1=C(C)N(C2CCC(C)CC2)[CH-]N1c1[c-]c(C2(C)c3[c-]c(N4[CH-]N(C5CCC(C)CC5)C(C)=C4C)ccc3-n3c4ccccc4c4cccc2c43)ccc1.[Pt+4].
What is the InChIKey of CID 165384633?
The InChIKey is JOOLINRSUXWWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H55N5.Pt/c1-32-18-22-39(23-19-32)51-30-53(36(5)34(51)3)41-13-10-12-38(28-41)50(7)45-16-11-15-44-43-14-8-9-17-47(43)55(49(44)45)48-27-26-42(29-46(48)50)54-31-52(35(4)37(54)6)40-24-20-33(2)21-25-40;/h8-17,26-27,30-33,39-40H,18-25H2,1-7H3;/q-4;+4.
What are the key properties of CID 165384633?
CID 165384633 has a molecular weight of 921.10 g/mol, XLogP of 12.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165384633 is sourced from PubChem (CID 165384633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).