CID 58831160

C52H42N4Pt — CID 58831160

IUPAC—
SMILESCC1(C)c2[c-]c(ccc2)-c2cc(N(c3ccccc3)c3ccccc3)cc(n2)C(C)(C)c2cc(N(c3ccccc3)c3ccccc3)cc(n2)-c2[c-]c1ccc2.[Pt+2]
InChIInChI=1S/C52H42N4.Pt/c1-51(2)39-21-17-19-37(31-39)47-33-45(55(41-23-9-5-10-24-41)42-25-11-6-12-26-42)35-49(53-47)52(3,4)50-36-46(34-48(54-50)38-20-18-22-40(51)32-38)56(43-27-13-7-14-28-43)44-29-15-8-16-30-44;/h5-30,33-36H,1-4H3;/q-2;+2
InChIKeySLFGTJKTYTZNCA-UHFFFAOYSA-N
MW918.01 g/mol
LogP13.31
Rot. Bonds6

About CID 58831160

CID 58831160 (PubChem CID 58831160) has the molecular formula C52H42N4Pt and a molecular weight of 918.01 g/mol.

Molecular Properties

Compound NameCID 58831160
PubChem CID58831160
Molecular FormulaC52H42N4Pt
Molecular Weight918.01 g/mol
Exact Mass917.31
IUPAC Name—
SMILESCC1(C)c2[c-]c(ccc2)-c2cc(N(c3ccccc3)c3ccccc3)cc(n2)C(C)(C)c2cc(N(c3ccccc3)c3ccccc3)cc(n2)-c2[c-]c1ccc2.[Pt+2]
InChIInChI=1S/C52H42N4.Pt/c1-51(2)39-21-17-19-37(31-39)47-33-45(55(41-23-9-5-10-24-41)42-25-11-6-12-26-42)35-49(53-47)52(3,4)50-36-46(34-48(54-50)38-20-18-22-40(51)32-38)56(43-27-13-7-14-28-43)44-29-15-8-16-30-44;/h5-30,33-36H,1-4H3;/q-2;+2
InChIKeySLFGTJKTYTZNCA-UHFFFAOYSA-N
XLogP13.31
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.01
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 58831160 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 157186260
CID 157186260
CID 59399068
CID 59399068
6,6,14,14-tetramethyl-N,N-diphenyl-9-pyren-2-yltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-3-amine
CID 146699452
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
CID 158105154
CID 158105154
CID 58004249
CID 58004249
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
6,6,14,14-tetramethyl-3-N,3-N,9-N,9-N-tetrakis(3-phenylphenyl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene-3,9-diamine
CID 23561331
8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 158487565
N-(2,6-dipyridin-2-yl-4-pyridinyl)-N-phenyl-2,6-dipyridin-2-ylpyridin-4-amine
CID 102395137
CID 157220780
CID 157220780

Frequently Asked Questions

What is the IUPAC name of CID 58831160?
The IUPAC name of CID 58831160 (CID 58831160) is not available.
What is the SMILES notation for CID 58831160?
The canonical SMILES for CID 58831160 is CC1(C)c2[c-]c(ccc2)-c2cc(N(c3ccccc3)c3ccccc3)cc(n2)C(C)(C)c2cc(N(c3ccccc3)c3ccccc3)cc(n2)-c2[c-]c1ccc2.[Pt+2].
What is the InChIKey of CID 58831160?
The InChIKey is SLFGTJKTYTZNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N4.Pt/c1-51(2)39-21-17-19-37(31-39)47-33-45(55(41-23-9-5-10-24-41)42-25-11-6-12-26-42)35-49(53-47)52(3,4)50-36-46(34-48(54-50)38-20-18-22-40(51)32-38)56(43-27-13-7-14-28-43)44-29-15-8-16-30-44;/h5-30,33-36H,1-4H3;/q-2;+2.
What are the key properties of CID 58831160?
CID 58831160 has a molecular weight of 918.01 g/mol, XLogP of 13.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58831160 is sourced from PubChem (CID 58831160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).