CID 155773497

C49H37N5Pt — CID 155773497

IUPAC—
SMILESCC1(C)c2cc3c([c-]c2N2c4ncccc4C(C)(C)c4cccc1c42)-n1c2[c-]c(-n4c5ccccc5c5cccnc54)ccc2c2cccc(c21)C3(C)C.[Pt+2]
InChIInChI=1S/C49H37N5.Pt/c1-47(2)34-17-10-18-35-44(34)54(46-36(47)19-12-24-51-46)42-27-41-37(26-38(42)49(35,5)6)48(3,4)33-16-9-14-31-30-22-21-28(25-40(30)53(41)43(31)33)52-39-20-8-7-13-29(39)32-15-11-23-50-45(32)52;/h7-24,26H,1-6H3;/q-2;+2
InChIKeyDCUBCTLWAUDVSD-UHFFFAOYSA-N
MW890.95 g/mol
LogP11.66
Rot. Bonds1

About CID 155773497

CID 155773497 (PubChem CID 155773497) has the molecular formula C49H37N5Pt and a molecular weight of 890.95 g/mol.

Molecular Properties

Compound NameCID 155773497
PubChem CID155773497
Molecular FormulaC49H37N5Pt
Molecular Weight890.95 g/mol
Exact Mass890.27
IUPAC Name—
SMILESCC1(C)c2cc3c([c-]c2N2c4ncccc4C(C)(C)c4cccc1c42)-n1c2[c-]c(-n4c5ccccc5c5cccnc54)ccc2c2cccc(c21)C3(C)C.[Pt+2]
InChIInChI=1S/C49H37N5.Pt/c1-47(2)34-17-10-18-35-44(34)54(46-36(47)19-12-24-51-46)42-27-41-37(26-38(42)49(35,5)6)48(3,4)33-16-9-14-31-30-22-21-28(25-40(30)53(41)43(31)33)52-39-20-8-7-13-29(39)32-15-11-23-50-45(32)52;/h7-24,26H,1-6H3;/q-2;+2
InChIKeyDCUBCTLWAUDVSD-UHFFFAOYSA-N
XLogP11.66
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.95
LogP ≤ 511.66
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 155773497?
The IUPAC name of CID 155773497 (CID 155773497) is not available.
What is the SMILES notation for CID 155773497?
The canonical SMILES for CID 155773497 is CC1(C)c2cc3c([c-]c2N2c4ncccc4C(C)(C)c4cccc1c42)-n1c2[c-]c(-n4c5ccccc5c5cccnc54)ccc2c2cccc(c21)C3(C)C.[Pt+2].
What is the InChIKey of CID 155773497?
The InChIKey is DCUBCTLWAUDVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N5.Pt/c1-47(2)34-17-10-18-35-44(34)54(46-36(47)19-12-24-51-46)42-27-41-37(26-38(42)49(35,5)6)48(3,4)33-16-9-14-31-30-22-21-28(25-40(30)53(41)43(31)33)52-39-20-8-7-13-29(39)32-15-11-23-50-45(32)52;/h7-24,26H,1-6H3;/q-2;+2.
What are the key properties of CID 155773497?
CID 155773497 has a molecular weight of 890.95 g/mol, XLogP of 11.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155773497 is sourced from PubChem (CID 155773497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).