7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline

C38H22N6 — CID 129089080

IUPAC7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c3nccnc3c3ccc(-n4c5ccccc5c5ccccc54)nc3c2n1
InChIInChI=1S/C38H22N6/c1-5-13-29-23(9-1)24-10-2-6-14-30(24)43(29)33-19-17-27-35-36(40-22-21-39-35)28-18-20-34(42-38(28)37(27)41-33)44-31-15-7-3-11-25(31)26-12-4-8-16-32(26)44/h1-22H
InChIKeyFOFLYBTYRPRCNL-UHFFFAOYSA-N
MW562.64 g/mol
LogP8.92
Rot. Bonds2

About 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline

7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline (PubChem CID 129089080) has the molecular formula C38H22N6 and a molecular weight of 562.64 g/mol. Its IUPAC name is 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
PubChem CID129089080
Molecular FormulaC38H22N6
Molecular Weight562.64 g/mol
Exact Mass562.19
IUPAC Name7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c3nccnc3c3ccc(-n4c5ccccc5c5ccccc54)nc3c2n1
InChIInChI=1S/C38H22N6/c1-5-13-29-23(9-1)24-10-2-6-14-30(24)43(29)33-19-17-27-35-36(40-22-21-39-35)28-18-20-34(42-38(28)37(27)41-33)44-31-15-7-3-11-25(31)26-12-4-8-16-32(26)44/h1-22H
InChIKeyFOFLYBTYRPRCNL-UHFFFAOYSA-N
XLogP8.92
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.64
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline
CID 129089148
3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine
CID 129089164
3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine
CID 129089144
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 118041251
9-(6-carbazol-9-yl-3-methyl-2-pyridinyl)carbazole
CID 170396111
11,12-di(quinolin-8-yl)indolo[2,3-a]carbazole
CID 58184810
9,14-bis(6-carbazol-9-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038361
12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 58038308
5-(3-carbazol-9-ylphenyl)-11-(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118458147
10-(1,10-phenanthrolin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118565042
11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline
CID 138463325
7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
CID 88858520

Frequently Asked Questions

What is the IUPAC name of 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline?
The IUPAC name of 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline (CID 129089080) is 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline is c1ccc2c(c1)c1ccccc1n2-c1ccc2c3nccnc3c3ccc(-n4c5ccccc5c5ccccc54)nc3c2n1.
What is the InChIKey of 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline?
The InChIKey is FOFLYBTYRPRCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N6/c1-5-13-29-23(9-1)24-10-2-6-14-30(24)43(29)33-19-17-27-35-36(40-22-21-39-35)28-18-20-34(42-38(28)37(27)41-33)44-31-15-7-3-11-25(31)26-12-4-8-16-32(26)44/h1-22H.
What are the key properties of 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline?
7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline has a molecular weight of 562.64 g/mol, XLogP of 8.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 129089080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).