anthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium

C26H18Cl2N2Ti-2 — CID 21130214

IUPACanthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium
SMILESCl[Ti]Cl.c1ccc([N-]c2ccccc2[N-]c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C26H18N2.2ClH.Ti/c1-2-12-21(13-3-1)27-24-16-8-9-17-25(24)28-26-22-14-6-4-10-19(22)18-20-11-5-7-15-23(20)26;;;/h1-18H;2*1H;/q-2;;;+2/p-2
InChIKeyMNDXJELDXRNSPX-UHFFFAOYSA-L
MW477.22 g/mol
LogP10.04
Rot. Bonds4

About anthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium

anthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium (PubChem CID 21130214) has the molecular formula C26H18Cl2N2Ti-2 and a molecular weight of 477.22 g/mol. Its IUPAC name is anthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium.

Molecular Properties

Compound Nameanthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium
PubChem CID21130214
Molecular FormulaC26H18Cl2N2Ti-2
Molecular Weight477.22 g/mol
Exact Mass476.03
IUPAC Nameanthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium
SMILESCl[Ti]Cl.c1ccc([N-]c2ccccc2[N-]c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C26H18N2.2ClH.Ti/c1-2-12-21(13-3-1)27-24-16-8-9-17-25(24)28-26-22-14-6-4-10-19(22)18-20-11-5-7-15-23(20)26;;;/h1-18H;2*1H;/q-2;;;+2/p-2
InChIKeyMNDXJELDXRNSPX-UHFFFAOYSA-L
XLogP10.04
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.22
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
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9-(9-chlorononoxy)anthracene
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pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
9-(dichloromethyl)anthracene
CID 4281288
anthracene;benzene;naphthalene
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N-methyl-N-phenylanthracen-9-amine
CID 22944738
9-anthracen-9-ylanthracene;toluene
CID 86148014
benzene;9-ethynylanthracene
CID 161110556
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317

Frequently Asked Questions

What is the IUPAC name of anthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium?
The IUPAC name of anthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium (CID 21130214) is anthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium.
What is the SMILES notation for anthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium?
The canonical SMILES for anthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium is Cl[Ti]Cl.c1ccc([N-]c2ccccc2[N-]c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of anthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium?
The InChIKey is MNDXJELDXRNSPX-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H18N2.2ClH.Ti/c1-2-12-21(13-3-1)27-24-16-8-9-17-25(24)28-26-22-14-6-4-10-19(22)18-20-11-5-7-15-23(20)26;;;/h1-18H;2*1H;/q-2;;;+2/p-2.
What are the key properties of anthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium?
anthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium has a molecular weight of 477.22 g/mol, XLogP of 10.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium is sourced from PubChem (CID 21130214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).