12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole

C42H25NO — CID 122548581

IUPAC12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1
InChIInChI=1S/C42H25NO/c1-2-14-31-29(12-1)30-13-3-4-15-32(30)38-25-27(20-21-33(31)38)26-10-9-11-28(24-26)43-39-18-7-5-16-34(39)36-22-23-37-35-17-6-8-19-40(35)44-42(37)41(36)43/h1-25H
InChIKeyKRMVSFYBTKSBIA-UHFFFAOYSA-N
MW559.67 g/mol
LogP11.81
Rot. Bonds2

About 12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole

12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 122548581) has the molecular formula C42H25NO and a molecular weight of 559.67 g/mol. Its IUPAC name is 12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
PubChem CID122548581
Molecular FormulaC42H25NO
Molecular Weight559.67 g/mol
Exact Mass559.19
IUPAC Name12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1
InChIInChI=1S/C42H25NO/c1-2-14-31-29(12-1)30-13-3-4-15-32(30)38-25-27(20-21-33(31)38)26-10-9-11-28(24-26)43-39-18-7-5-16-34(39)36-22-23-37-35-17-6-8-19-40(35)44-42(37)41(36)43/h1-25H
InChIKeyKRMVSFYBTKSBIA-UHFFFAOYSA-N
XLogP11.81
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163763332
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
2-dibenzofuran-4-yl-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156606
12-[3-[2,6-bis[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126630911
12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163673280
3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile
CID 129290927
3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223766
12-[3-[6-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126631023
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole
CID 126580447
10-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]indole
CID 121298634
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510159

Frequently Asked Questions

What is the IUPAC name of 12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole (CID 122548581) is 12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.
What is the InChIKey of 12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is KRMVSFYBTKSBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO/c1-2-14-31-29(12-1)30-13-3-4-15-32(30)38-25-27(20-21-33(31)38)26-10-9-11-28(24-26)43-39-18-7-5-16-34(39)36-22-23-37-35-17-6-8-19-40(35)44-42(37)41(36)43/h1-25H.
What are the key properties of 12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole?
12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 559.67 g/mol, XLogP of 11.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 122548581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).