7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline

C56H33N7 — CID 129089148

IUPAC7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline
SMILESc1ccc(-c2ccc3c4nccnc4c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)nc4c3n2)cc1
InChIInChI=1S/C56H33N7/c1-2-12-34(13-3-1)45-26-24-41-53-54(58-31-30-57-53)42-25-29-52(60-56(42)55(41)59-45)63-50-27-22-35(61-46-18-8-4-14-37(46)38-15-5-9-19-47(38)61)32-43(50)44-33-36(23-28-51(44)63)62-48-20-10-6-16-39(48)40-17-7-11-21-49(40)62/h1-33H
InChIKeyMCQXGPXYMUPYIA-UHFFFAOYSA-N
MW803.93 g/mol
LogP13.68
Rot. Bonds4

About 7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline

7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline (PubChem CID 129089148) has the molecular formula C56H33N7 and a molecular weight of 803.93 g/mol. Its IUPAC name is 7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline
PubChem CID129089148
Molecular FormulaC56H33N7
Molecular Weight803.93 g/mol
Exact Mass803.28
IUPAC Name7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline
SMILESc1ccc(-c2ccc3c4nccnc4c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)nc4c3n2)cc1
InChIInChI=1S/C56H33N7/c1-2-12-34(13-3-1)45-26-24-41-53-54(58-31-30-57-53)42-25-29-52(60-56(42)55(41)59-45)63-50-27-22-35(61-46-18-8-4-14-37(46)38-15-5-9-19-47(38)61)32-43(50)44-33-36(23-28-51(44)63)62-48-20-10-6-16-39(48)40-17-7-11-21-49(40)62/h1-33H
InChIKeyMCQXGPXYMUPYIA-UHFFFAOYSA-N
XLogP13.68
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.93
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine
CID 129089144
7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
CID 129089080
8-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)-2-phenylpyrido[3,2-b]indole;ethane
CID 144605218
16-phenyl-9-triphenylen-2-yl-9,12,15-triazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14(19),15,17,20-decaene
CID 163549129
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
2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine
CID 89369583
3-[4-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063888
3-[4-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063891
N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine
CID 118912220
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053
3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole
CID 157053515

Frequently Asked Questions

What is the IUPAC name of 7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline?
The IUPAC name of 7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline (CID 129089148) is 7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline is c1ccc(-c2ccc3c4nccnc4c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)nc4c3n2)cc1.
What is the InChIKey of 7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline?
The InChIKey is MCQXGPXYMUPYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N7/c1-2-12-34(13-3-1)45-26-24-41-53-54(58-31-30-57-53)42-25-29-52(60-56(42)55(41)59-45)63-50-27-22-35(61-46-18-8-4-14-37(46)38-15-5-9-19-47(38)61)32-43(50)44-33-36(23-28-51(44)63)62-48-20-10-6-16-39(48)40-17-7-11-21-49(40)62/h1-33H.
What are the key properties of 7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline?
7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline has a molecular weight of 803.93 g/mol, XLogP of 13.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 129089148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).