CID 154611162

C52H34N6OPd — CID 154611162

IUPAC—
SMILESCc1cccc(C)c1-c1ccc(-c2c(C)cccc2C)c2c1c1ccc(Oc3[c-]c4c(cc3)c3nccnc3n3c5ccccc5nc43)[c-]c1c1nc3ccccc3n12.[Pd+2]
InChIInChI=1S/C52H34N6O.Pd/c1-29-11-9-12-30(2)45(29)37-23-24-38(46-31(3)13-10-14-32(46)4)49-47(37)35-21-19-33(27-39(35)50-55-41-15-5-7-17-43(41)57(49)50)59-34-20-22-36-40(28-34)51-56-42-16-6-8-18-44(42)58(51)52-48(36)53-25-26-54-52;/h5-26H,1-4H3;/q-2;+2
InChIKeyGXLFWKQKEZEDOL-UHFFFAOYSA-N
MW865.31 g/mol
LogP12.65
Rot. Bonds4

About CID 154611162

CID 154611162 (PubChem CID 154611162) has the molecular formula C52H34N6OPd and a molecular weight of 865.31 g/mol.

Molecular Properties

Compound NameCID 154611162
PubChem CID154611162
Molecular FormulaC52H34N6OPd
Molecular Weight865.31 g/mol
Exact Mass864.18
IUPAC Name—
SMILESCc1cccc(C)c1-c1ccc(-c2c(C)cccc2C)c2c1c1ccc(Oc3[c-]c4c(cc3)c3nccnc3n3c5ccccc5nc43)[c-]c1c1nc3ccccc3n12.[Pd+2]
InChIInChI=1S/C52H34N6O.Pd/c1-29-11-9-12-30(2)45(29)37-23-24-38(46-31(3)13-10-14-32(46)4)49-47(37)35-21-19-33(27-39(35)50-55-41-15-5-7-17-43(41)57(49)50)59-34-20-22-36-40(28-34)51-56-42-16-6-8-18-44(42)58(51)52-48(36)53-25-26-54-52;/h5-26H,1-4H3;/q-2;+2
InChIKeyGXLFWKQKEZEDOL-UHFFFAOYSA-N
XLogP12.65
TPSA69.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.31
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 154610891
CID 154610891
CID 161031237
CID 161031237
11-[[5,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-5,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611612
CID 154611454
CID 154611454
4-[[9,12-bis(2,6-dimethylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-4-yl]oxy]-9,14,21-triazapentacyclo[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 154611384
CID 157127872
CID 157127872
11-[[7,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-7,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611480
CID 154611242
CID 154611242
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
CID 164704200
CID 164704200
CID 154610967
CID 154610967
CID 170672584
CID 170672584

Frequently Asked Questions

What is the IUPAC name of CID 154611162?
The IUPAC name of CID 154611162 (CID 154611162) is not available.
What is the SMILES notation for CID 154611162?
The canonical SMILES for CID 154611162 is Cc1cccc(C)c1-c1ccc(-c2c(C)cccc2C)c2c1c1ccc(Oc3[c-]c4c(cc3)c3nccnc3n3c5ccccc5nc43)[c-]c1c1nc3ccccc3n12.[Pd+2].
What is the InChIKey of CID 154611162?
The InChIKey is GXLFWKQKEZEDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6O.Pd/c1-29-11-9-12-30(2)45(29)37-23-24-38(46-31(3)13-10-14-32(46)4)49-47(37)35-21-19-33(27-39(35)50-55-41-15-5-7-17-43(41)57(49)50)59-34-20-22-36-40(28-34)51-56-42-16-6-8-18-44(42)58(51)52-48(36)53-25-26-54-52;/h5-26H,1-4H3;/q-2;+2.
What are the key properties of CID 154611162?
CID 154611162 has a molecular weight of 865.31 g/mol, XLogP of 12.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154611162 is sourced from PubChem (CID 154611162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).