CID 156627382

C54H49N5OPt — CID 156627382

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1-c1cnn(-c2[c-]c3c(cc2)oc2ccc4c(c5[c-]c(-n6cc(-c7c(C(C)C)cccc7C(C)C)cn6)ccc5n4-c4ccccc4)c23)c1.[Pt+2]
InChIInChI=1S/C54H49N5O.Pt/c1-32(2)41-16-12-17-42(33(3)4)51(41)36-28-55-57(30-36)39-20-22-47-45(26-39)53-48(59(47)38-14-10-9-11-15-38)23-25-50-54(53)46-27-40(21-24-49(46)60-50)58-31-37(29-56-58)52-43(34(5)6)18-13-19-44(52)35(7)8;/h9-25,28-35H,1-8H3;/q-2;+2
InChIKeyMLVONCWULPAWSB-UHFFFAOYSA-N
MW979.10 g/mol
LogP14.48
Rot. Bonds9

About CID 156627382

CID 156627382 (PubChem CID 156627382) has the molecular formula C54H49N5OPt and a molecular weight of 979.10 g/mol.

Molecular Properties

Compound NameCID 156627382
PubChem CID156627382
Molecular FormulaC54H49N5OPt
Molecular Weight979.10 g/mol
Exact Mass978.36
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1-c1cnn(-c2[c-]c3c(cc2)oc2ccc4c(c5[c-]c(-n6cc(-c7c(C(C)C)cccc7C(C)C)cn6)ccc5n4-c4ccccc4)c23)c1.[Pt+2]
InChIInChI=1S/C54H49N5O.Pt/c1-32(2)41-16-12-17-42(33(3)4)51(41)36-28-55-57(30-36)39-20-22-47-45(26-39)53-48(59(47)38-14-10-9-11-15-38)23-25-50-54(53)46-27-40(21-24-49(46)60-50)58-31-37(29-56-58)52-43(34(5)6)18-13-19-44(52)35(7)8;/h9-25,28-35H,1-8H3;/q-2;+2
InChIKeyMLVONCWULPAWSB-UHFFFAOYSA-N
XLogP14.48
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.10
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 156627313
CID 156627313
1-[18-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]-3-phenyl-2H-benzimidazole
CID 156627331
1-(3-bromophenyl)-4-[2,6-di(propan-2-yl)phenyl]pyrazole
CID 135344077
bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane
CID 140593883
CID 175329232
CID 175329232
2-[3-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 153413179
21-(9-phenylcarbazol-3-yl)-6,11-dioxa-21-azahexacyclo[14.4.1.05,20.07,19.010,18.012,17]henicosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaene
CID 135130599
3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine
CID 62220880
3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 118438947
18-[4-[2,6-di(propan-2-yl)phenyl]-2,4-dihydroimidazol-3-ium-2-id-3-yl]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-16-isocyano-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-7-carbonitrile
CID 156627366
4,19-dichloro-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 135130688
N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181579

Frequently Asked Questions

What is the IUPAC name of CID 156627382?
The IUPAC name of CID 156627382 (CID 156627382) is not available.
What is the SMILES notation for CID 156627382?
The canonical SMILES for CID 156627382 is CC(C)c1cccc(C(C)C)c1-c1cnn(-c2[c-]c3c(cc2)oc2ccc4c(c5[c-]c(-n6cc(-c7c(C(C)C)cccc7C(C)C)cn6)ccc5n4-c4ccccc4)c23)c1.[Pt+2].
What is the InChIKey of CID 156627382?
The InChIKey is MLVONCWULPAWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H49N5O.Pt/c1-32(2)41-16-12-17-42(33(3)4)51(41)36-28-55-57(30-36)39-20-22-47-45(26-39)53-48(59(47)38-14-10-9-11-15-38)23-25-50-54(53)46-27-40(21-24-49(46)60-50)58-31-37(29-56-58)52-43(34(5)6)18-13-19-44(52)35(7)8;/h9-25,28-35H,1-8H3;/q-2;+2.
What are the key properties of CID 156627382?
CID 156627382 has a molecular weight of 979.10 g/mol, XLogP of 14.48, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156627382 is sourced from PubChem (CID 156627382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).