10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline

C44H32N10 — CID 101228052

IUPAC10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1nc3c(-c4ccc(N5CCCC5)c5nc6c7cccnc7c7ncccc7c6nc45)ccc(N4CCCC4)c3nc1c1cccnc12
InChIInChI=1S/C44H32N10/c1-2-22-53(21-1)31-15-13-25(37-43(31)51-41-29-11-7-19-47-35(29)33-27(39(41)49-37)9-5-17-45-33)26-14-16-32(54-23-3-4-24-54)44-38(26)50-40-28-10-6-18-46-34(28)36-30(42(40)52-44)12-8-20-48-36/h5-20H,1-4,21-24H2
InChIKeyZKENFLFCHZGGKT-UHFFFAOYSA-N
MW700.81 g/mol
LogP8.94
Rot. Bonds3

About 10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline

10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 101228052) has the molecular formula C44H32N10 and a molecular weight of 700.81 g/mol. Its IUPAC name is 10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline
PubChem CID101228052
Molecular FormulaC44H32N10
Molecular Weight700.81 g/mol
Exact Mass700.28
IUPAC Name10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1nc3c(-c4ccc(N5CCCC5)c5nc6c7cccnc7c7ncccc7c6nc45)ccc(N4CCCC4)c3nc1c1cccnc12
InChIInChI=1S/C44H32N10/c1-2-22-53(21-1)31-15-13-25(37-43(31)51-41-29-11-7-19-47-35(29)33-27(39(41)49-37)9-5-17-45-33)26-14-16-32(54-23-3-4-24-54)44-38(26)50-40-28-10-6-18-46-34(28)36-30(42(40)52-44)12-8-20-48-36/h5-20H,1-4,21-24H2
InChIKeyZKENFLFCHZGGKT-UHFFFAOYSA-N
XLogP8.94
TPSA109.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.81
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,7-bis(4-pyrrolidin-1-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 177091262
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
(8-piperidin-1-ylquinolin-5-yl)urea
CID 167992902
5-nitro-8-piperidin-1-ylquinoline
CID 3124100
8-methoxy-5-piperidin-1-ylquinoline
CID 86218648
10-phenyl-5-piperidin-1-ylbenzo[h]quinoline
CID 102579281
5-pyrrolidin-1-ylquinoline
CID 118731129
5-piperidin-1-ylquinoline
CID 12887802
5-methyl-8-piperidin-1-ylquinoxaline
CID 129257471
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
19-thia-6,9,15,18,20,25-hexazahexacyclo[12.11.0.02,7.08,13.016,24.017,21]pentacosa-1(25),2(7),3,5,8(13),9,11,14,16(24),17,20,22-dodecaene
CID 24882707
2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 168521739

Frequently Asked Questions

What is the IUPAC name of 10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline?
The IUPAC name of 10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline (CID 101228052) is 10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline is c1cnc2c(c1)c1nc3c(-c4ccc(N5CCCC5)c5nc6c7cccnc7c7ncccc7c6nc45)ccc(N4CCCC4)c3nc1c1cccnc12.
What is the InChIKey of 10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline?
The InChIKey is ZKENFLFCHZGGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N10/c1-2-22-53(21-1)31-15-13-25(37-43(31)51-41-29-11-7-19-47-35(29)33-27(39(41)49-37)9-5-17-45-33)26-14-16-32(54-23-3-4-24-54)44-38(26)50-40-28-10-6-18-46-34(28)36-30(42(40)52-44)12-8-20-48-36/h5-20H,1-4,21-24H2.
What are the key properties of 10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline?
10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline has a molecular weight of 700.81 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pyrrolidin-1-yl-13-(10-pyrrolidin-1-ylquinoxalino[3,2-f][1,10]phenanthrolin-13-yl)quinoxalino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 101228052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).