CID 154610877

C42H24N4OPd — CID 154610877

IUPAC—
SMILES[Pd+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1nc3ccccc3n1c1c(-c3ccccc3)cccc21
InChIInChI=1S/C42H24N4O.Pd/c1-2-11-27(12-3-1)30-14-10-15-34-31-22-20-28(25-35(31)42-44-36-16-5-7-18-38(36)46(42)41(30)34)47-29-21-23-33-32-13-4-6-17-37(32)45(39(33)26-29)40-19-8-9-24-43-40;/h1-24H;/q-2;+2
InChIKeyCTCMSMSVTKUZAP-UHFFFAOYSA-N
MW707.10 g/mol
LogP10.34
Rot. Bonds4

About CID 154610877

CID 154610877 (PubChem CID 154610877) has the molecular formula C42H24N4OPd and a molecular weight of 707.10 g/mol.

Molecular Properties

Compound NameCID 154610877
PubChem CID154610877
Molecular FormulaC42H24N4OPd
Molecular Weight707.10 g/mol
Exact Mass706.10
IUPAC Name—
SMILES[Pd+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1nc3ccccc3n1c1c(-c3ccccc3)cccc21
InChIInChI=1S/C42H24N4O.Pd/c1-2-11-27(12-3-1)30-14-10-15-34-31-22-20-28(25-35(31)42-44-36-16-5-7-18-38(36)46(42)41(30)34)47-29-21-23-33-32-13-4-6-17-37(32)45(39(33)26-29)40-19-8-9-24-43-40;/h1-24H;/q-2;+2
InChIKeyCTCMSMSVTKUZAP-UHFFFAOYSA-N
XLogP10.34
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.10
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 170672584
CID 170672584
CID 154610967
CID 154610967
CID 154611166
CID 154611166
3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)
CID 153411601
2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411698
5-tert-butyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610586
CID 164703969
CID 164703969
platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 154611558
CID 171436271
CID 171436271
8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610895
2-[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 153421938
10,12-diphenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 154610589

Frequently Asked Questions

What is the IUPAC name of CID 154610877?
The IUPAC name of CID 154610877 (CID 154610877) is not available.
What is the SMILES notation for CID 154610877?
The canonical SMILES for CID 154610877 is [Pd+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1nc3ccccc3n1c1c(-c3ccccc3)cccc21.
What is the InChIKey of CID 154610877?
The InChIKey is CTCMSMSVTKUZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O.Pd/c1-2-11-27(12-3-1)30-14-10-15-34-31-22-20-28(25-35(31)42-44-36-16-5-7-18-38(36)46(42)41(30)34)47-29-21-23-33-32-13-4-6-17-37(32)45(39(33)26-29)40-19-8-9-24-43-40;/h1-24H;/q-2;+2.
What are the key properties of CID 154610877?
CID 154610877 has a molecular weight of 707.10 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154610877 is sourced from PubChem (CID 154610877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).