4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline

C24H26N4 — CID 177092018

IUPAC4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline
SMILESCC1=C(C)CN(c2ccnc3c2ccc2c(N4CC(C)=C(C)C4)ccnc23)C1
InChIInChI=1S/C24H26N4/c1-15-11-27(12-16(15)2)21-7-9-25-23-19(21)5-6-20-22(8-10-26-24(20)23)28-13-17(3)18(4)14-28/h5-10H,11-14H2,1-4H3
InChIKeyDTSKCWYVBHDVMX-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.10
Rot. Bonds2

About 4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline

4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline (PubChem CID 177092018) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline
PubChem CID177092018
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC Name4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline
SMILESCC1=C(C)CN(c2ccnc3c2ccc2c(N4CC(C)=C(C)C4)ccnc23)C1
InChIInChI=1S/C24H26N4/c1-15-11-27(12-16(15)2)21-7-9-25-23-19(21)5-6-20-22(8-10-26-24(20)23)28-13-17(3)18(4)14-28/h5-10H,11-14H2,1-4H3
InChIKeyDTSKCWYVBHDVMX-UHFFFAOYSA-N
XLogP5.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

16-[7-(16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,11,13,18(22),19-decaen-16-yl)-1,10-phenanthrolin-4-yl]-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,11,13,18(22),19-decaene
CID 177092031
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4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline
CID 43840526
5,8-dimethyl-4-piperazin-1-ylquinoline
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1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 91790405
4,7-bis(4-pyrrolidin-1-ylnaphthalen-1-yl)-1,10-phenanthroline
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CID 118788879
8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72892575
(3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride
CID 129241158
5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine
CID 62204659
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinolin-8-amine
CID 104957764
8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline
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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline?
The IUPAC name of 4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline (CID 177092018) is 4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline.
What is the SMILES notation for 4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline?
The canonical SMILES for 4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline is CC1=C(C)CN(c2ccnc3c2ccc2c(N4CC(C)=C(C)C4)ccnc23)C1.
What is the InChIKey of 4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline?
The InChIKey is DTSKCWYVBHDVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4/c1-15-11-27(12-16(15)2)21-7-9-25-23-19(21)5-6-20-22(8-10-26-24(20)23)28-13-17(3)18(4)14-28/h5-10H,11-14H2,1-4H3.
What are the key properties of 4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline?
4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline has a molecular weight of 370.50 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(3,4-dimethyl-2,5-dihydropyrrol-1-yl)-1,10-phenanthroline is sourced from PubChem (CID 177092018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).