CID 11027632

C23H20F6FeNP+ — CID 11027632

IUPAC—
SMILESC1=CC2c3ccccc3N(c3ccccc3)C2C=C1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C18H15N.C5H5.F6P.Fe/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-13,15,17H;1-5H;;/q;;-1;+2
InChIKeyMKBVZGFXZAWSRZ-UHFFFAOYSA-N
MW511.23 g/mol
LogP8.82
Rot. Bonds1

About CID 11027632

CID 11027632 (PubChem CID 11027632) has the molecular formula C23H20F6FeNP+ and a molecular weight of 511.23 g/mol.

Molecular Properties

Compound NameCID 11027632
PubChem CID11027632
Molecular FormulaC23H20F6FeNP+
Molecular Weight511.23 g/mol
Exact Mass511.06
IUPAC Name—
SMILESC1=CC2c3ccccc3N(c3ccccc3)C2C=C1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C18H15N.C5H5.F6P.Fe/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-13,15,17H;1-5H;;/q;;-1;+2
InChIKeyMKBVZGFXZAWSRZ-UHFFFAOYSA-N
XLogP8.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.23
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 11027632 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-methylphenyl)-4a,9a-dihydrocarbazole
CID 70834076
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole
CID 118490775
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
9-[4-[[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-phenylphosphoryl]phenyl]carbazole
CID 139471437
10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine
CID 170073966
4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
9-[4-[[3-[[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]methyl]-5-[(4-carbazol-9-ylphenyl)methyl]phenyl]methyl]phenyl]carbazole
CID 70971569
9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole
CID 129145906
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole
CID 123494743
5-phenyl-11,12b-dihydro-4aH-indolo[3,2-b]carbazole
CID 66585340

Frequently Asked Questions

What is the IUPAC name of CID 11027632?
The IUPAC name of CID 11027632 (CID 11027632) is not available.
What is the SMILES notation for CID 11027632?
The canonical SMILES for CID 11027632 is C1=CC2c3ccccc3N(c3ccccc3)C2C=C1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11027632?
The InChIKey is MKBVZGFXZAWSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C5H5.F6P.Fe/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-13,15,17H;1-5H;;/q;;-1;+2.
What are the key properties of CID 11027632?
CID 11027632 has a molecular weight of 511.23 g/mol, XLogP of 8.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11027632 is sourced from PubChem (CID 11027632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).