carbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+)

C30H48NPTi — CID 153420291

IUPACcarbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+)
SMILESCC(C)P(=[N-])(C(C)C)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C27H39NP.3CH3.Ti/c1-17(2)29(28,18(3)4)25-23-15-19(26(5,6)7)11-13-21(23)22-14-12-20(16-24(22)25)27(8,9)10;;;;/h11-18,25H,1-10H3;3*1H3;/q4*-1;+4
InChIKeyKWBAQAJUPSSFQB-UHFFFAOYSA-N
MW501.56 g/mol
LogP10.29
Rot. Bonds3

About carbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+)

carbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+) (PubChem CID 153420291) has the molecular formula C30H48NPTi and a molecular weight of 501.56 g/mol. Its IUPAC name is carbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+).

Molecular Properties

Compound Namecarbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+)
PubChem CID153420291
Molecular FormulaC30H48NPTi
Molecular Weight501.56 g/mol
Exact Mass501.30
IUPAC Namecarbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+)
SMILESCC(C)P(=[N-])(C(C)C)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C27H39NP.3CH3.Ti/c1-17(2)29(28,18(3)4)25-23-15-19(26(5,6)7)11-13-21(23)22-14-12-20(16-24(22)25)27(8,9)10;;;;/h11-18,25H,1-10H3;3*1H3;/q4*-1;+4
InChIKeyKWBAQAJUPSSFQB-UHFFFAOYSA-N
XLogP10.29
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.56
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,7-ditert-butyl-9H-fluorene-9-carbodithioic acid
CID 86018504
2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 140807096
[2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane
CID 178003983
2-(2-tert-butyl-7-fluoro-9H-fluoren-9-yl)ethanamine
CID 82579139
2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid
CID 82578898
3,6-ditert-butyl-N-methylfluoren-9-imine
CID 163743423
2,10-ditert-butyltetraphenylene
CID 159208403
2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene
CID 57267216
2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene
CID 101338672
2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937266
4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 130466941
2,7-dibromo-9-[2-(3,6-ditert-butyl-9H-fluoren-9-yl)ethyl]-9H-fluorene
CID 67039714

Frequently Asked Questions

What is the IUPAC name of carbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+)?
The IUPAC name of carbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+) (CID 153420291) is carbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+).
What is the SMILES notation for carbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+)?
The canonical SMILES for carbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+) is CC(C)P(=[N-])(C(C)C)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.[CH3-].[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+)?
The InChIKey is KWBAQAJUPSSFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NP.3CH3.Ti/c1-17(2)29(28,18(3)4)25-23-15-19(26(5,6)7)11-13-21(23)22-14-12-20(16-24(22)25)27(8,9)10;;;;/h11-18,25H,1-10H3;3*1H3;/q4*-1;+4.
What are the key properties of carbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+)?
carbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+) has a molecular weight of 501.56 g/mol, XLogP of 10.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[(2,7-ditert-butyl-9H-fluoren-9-yl)-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+) is sourced from PubChem (CID 153420291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).