3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole

C32H23N3O+2 — CID 156677903

IUPAC3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole
SMILESC[N+]1=C=[N+](c2cccc(Oc3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C32H23N3O/c1-33-22-34(32-17-8-7-16-31(32)33)24-12-9-13-25(20-24)36-26-18-19-30-28(21-26)27-14-5-6-15-29(27)35(30)23-10-3-2-4-11-23/h2-21H,1H3/q+2
InChIKeyZHMBASCRAXVOTG-UHFFFAOYSA-N
MW465.56 g/mol
LogP7.87
Rot. Bonds4

About 3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole

3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole (PubChem CID 156677903) has the molecular formula C32H23N3O+2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole
PubChem CID156677903
Molecular FormulaC32H23N3O+2
Molecular Weight465.56 g/mol
Exact Mass465.18
IUPAC Name3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole
SMILESC[N+]1=C=[N+](c2cccc(Oc3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C32H23N3O/c1-33-22-34(32-17-8-7-16-31(32)33)24-12-9-13-25(20-24)36-26-18-19-30-28(21-26)27-14-5-6-15-29(27)35(30)23-10-3-2-4-11-23/h2-21H,1H3/q+2
InChIKeyZHMBASCRAXVOTG-UHFFFAOYSA-N
XLogP7.87
TPSA20.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 88594610
3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118220359
9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole
CID 71232754
3-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]sulfanyl-9-phenylcarbazole
CID 156677893
2-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenyl]sulfanyl-9-pyridin-2-ylcarbazole
CID 170671489
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-[9-(4-phenoxyphenyl)carbazol-3-yl]-9-[5-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086423
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3-[3-[9-(4-carbazol-9-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium
CID 164731541
3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole
CID 140904941
16-phenyl-9-[(16-phenyl-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaen-9-yl)oxy]-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487214

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole?
The IUPAC name of 3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole (CID 156677903) is 3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole?
The canonical SMILES for 3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole is C[N+]1=C=[N+](c2cccc(Oc3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccccc21.
What is the InChIKey of 3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole?
The InChIKey is ZHMBASCRAXVOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3O/c1-33-22-34(32-17-8-7-16-31(32)33)24-12-9-13-25(20-24)36-26-18-19-30-28(21-26)27-14-5-6-15-29(27)35(30)23-10-3-2-4-11-23/h2-21H,1H3/q+2.
What are the key properties of 3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole?
3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole has a molecular weight of 465.56 g/mol, XLogP of 7.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenoxy]-9-phenylcarbazole is sourced from PubChem (CID 156677903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).