carbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+)

C40H38N2Ti — CID 175811901

IUPACcarbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+)
SMILESCc1[cH-]c2c3ccccc3n(-c3ccccc3)c2c1C.Cc1[cH-]c2c3ccccc3n(-c3ccccc3)c2c1C.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C19H16N.2CH3.Ti/c2*1-13-12-17-16-10-6-7-11-18(16)20(19(17)14(13)2)15-8-4-3-5-9-15;;;/h2*3-12H,1-2H3;2*1H3;/q4*-1;+4
InChIKeyZEJKEMKXCHTWHH-UHFFFAOYSA-N
MW594.63 g/mol
LogP11.14
Rot. Bonds2

About carbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+)

carbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+) (PubChem CID 175811901) has the molecular formula C40H38N2Ti and a molecular weight of 594.63 g/mol. Its IUPAC name is carbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+).

Molecular Properties

Compound Namecarbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+)
PubChem CID175811901
Molecular FormulaC40H38N2Ti
Molecular Weight594.63 g/mol
Exact Mass594.25
IUPAC Namecarbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+)
SMILESCc1[cH-]c2c3ccccc3n(-c3ccccc3)c2c1C.Cc1[cH-]c2c3ccccc3n(-c3ccccc3)c2c1C.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C19H16N.2CH3.Ti/c2*1-13-12-17-16-10-6-7-11-18(16)20(19(17)14(13)2)15-8-4-3-5-9-15;;;/h2*3-12H,1-2H3;2*1H3;/q4*-1;+4
InChIKeyZEJKEMKXCHTWHH-UHFFFAOYSA-N
XLogP11.14
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.63
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);zirconium(4+);dichloride
CID 175342948
6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 134509787
2-(3-methyl-1-phenylindol-2-yl)acetonitrile
CID 23457308
6-methyl-11-phenylindolo[3,2-c]quinoline
CID 177491970
7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 118504699
9-phenylcarbazole;pyridine
CID 158880805
ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
2-methyl-9-phenylcarbazole
CID 59552741
6-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 123156036

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+)?
The IUPAC name of carbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+) (CID 175811901) is carbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+).
What is the SMILES notation for carbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+)?
The canonical SMILES for carbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+) is Cc1[cH-]c2c3ccccc3n(-c3ccccc3)c2c1C.Cc1[cH-]c2c3ccccc3n(-c3ccccc3)c2c1C.[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+)?
The InChIKey is ZEJKEMKXCHTWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16N.2CH3.Ti/c2*1-13-12-17-16-10-6-7-11-18(16)20(19(17)14(13)2)15-8-4-3-5-9-15;;;/h2*3-12H,1-2H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+)?
carbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+) has a molecular weight of 594.63 g/mol, XLogP of 11.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(2,3-dimethyl-4-phenyl-1H-cyclopenta[b]indol-1-ide);titanium(4+) is sourced from PubChem (CID 175811901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).