cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium

C20H23NP- — CID 174241545

IUPACcyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium
SMILESC[C@H](C1C=CC=C1[c-]1ccccc1=[PH+][c-]1cccc1)N(C)C
InChIInChI=1S/C20H23NP/c1-15(21(2)3)17-12-8-13-18(17)19-11-6-7-14-20(19)22-16-9-4-5-10-16/h4-15,17,22H,1-3H3/q-1/t15-,17?/m1/s1
InChIKeyRWWIZCXNYUDGIM-LDCVWXEPSA-N
MW308.39 g/mol
LogP4.18
Rot. Bonds4

About cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium

cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium (PubChem CID 174241545) has the molecular formula C20H23NP- and a molecular weight of 308.39 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium
PubChem CID174241545
Molecular FormulaC20H23NP-
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Namecyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium
SMILESC[C@H](C1C=CC=C1[c-]1ccccc1=[PH+][c-]1cccc1)N(C)C
InChIInChI=1S/C20H23NP/c1-15(21(2)3)17-12-8-13-18(17)19-11-6-7-14-20(19)22-16-9-4-5-10-16/h4-15,17,22H,1-3H3/q-1/t15-,17?/m1/s1
InChIKeyRWWIZCXNYUDGIM-LDCVWXEPSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 89256715
(1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 102187363
N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine
CID 139266431
(1R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 134858973
(5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene
CID 175483220
(1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol
CID 101152941
(S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol
CID 100992874
(1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine
CID 101081109
[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
CID 141345784
N,N-dimethyl-1-(2-phenylcyclohexyl)ethanamine
CID 70492247
(1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
CID 15204285
[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol
CID 102351824

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium?
The IUPAC name of cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium (CID 174241545) is cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium is C[C@H](C1C=CC=C1[c-]1ccccc1=[PH+][c-]1cccc1)N(C)C.
What is the InChIKey of cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium?
The InChIKey is RWWIZCXNYUDGIM-LDCVWXEPSA-N. The full InChI is InChI=1S/C20H23NP/c1-15(21(2)3)17-12-8-13-18(17)19-11-6-7-14-20(19)22-16-9-4-5-10-16/h4-15,17,22H,1-3H3/q-1/t15-,17?/m1/s1.
What are the key properties of cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium?
cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium has a molecular weight of 308.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl-[6-[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]phosphanium is sourced from PubChem (CID 174241545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).