6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one

C41H29NO3 — CID 146176018

IUPAC6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one
SMILESCC(C)(C)c1cc(-c2ccccc2)c2oc3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)ccc3c(=O)c2c1
InChIInChI=1S/C41H29NO3/c1-41(2,3)25-21-32(24-11-5-4-6-12-24)39-33(22-25)38(43)31-18-17-26(23-36(31)45-39)42-34-15-9-7-13-27(34)29-19-20-30-28-14-8-10-16-35(28)44-40(30)37(29)42/h4-23H,1-3H3
InChIKeyCJHOBCWDZLAPDY-UHFFFAOYSA-N
MW583.69 g/mol
LogP10.91
Rot. Bonds2

About 6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one

6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one (PubChem CID 146176018) has the molecular formula C41H29NO3 and a molecular weight of 583.69 g/mol. Its IUPAC name is 6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one.

Molecular Properties

Compound Name6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one
PubChem CID146176018
Molecular FormulaC41H29NO3
Molecular Weight583.69 g/mol
Exact Mass583.21
IUPAC Name6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one
SMILESCC(C)(C)c1cc(-c2ccccc2)c2oc3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)ccc3c(=O)c2c1
InChIInChI=1S/C41H29NO3/c1-41(2,3)25-21-32(24-11-5-4-6-12-24)39-33(22-25)38(43)31-18-17-26(23-36(31)45-39)42-34-15-9-7-13-27(34)29-19-20-30-28-14-8-10-16-35(28)44-40(30)37(29)42/h4-23H,1-3H3
InChIKeyCJHOBCWDZLAPDY-UHFFFAOYSA-N
XLogP10.91
TPSA48.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.69
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 171612107
5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one
CID 146176130
11-phenyl-12-(6-phenyldibenzofuran-3-yl)indolo[2,3-a]carbazole
CID 122594951
12-(5-phenylnaphthalen-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 118502601
12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 170277606
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612099
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 169059257
12-[3-(6-phenylpyren-1-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 176780527
9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole
CID 170285075

Frequently Asked Questions

What is the IUPAC name of 6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one?
The IUPAC name of 6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one (CID 146176018) is 6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one.
What is the SMILES notation for 6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one?
The canonical SMILES for 6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one is CC(C)(C)c1cc(-c2ccccc2)c2oc3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)ccc3c(=O)c2c1.
What is the InChIKey of 6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one?
The InChIKey is CJHOBCWDZLAPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29NO3/c1-41(2,3)25-21-32(24-11-5-4-6-12-24)39-33(22-25)38(43)31-18-17-26(23-36(31)45-39)42-34-15-9-7-13-27(34)29-19-20-30-28-14-8-10-16-35(28)44-40(30)37(29)42/h4-23H,1-3H3.
What are the key properties of 6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one?
6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one has a molecular weight of 583.69 g/mol, XLogP of 10.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-([1]benzofuro[2,3-a]carbazol-12-yl)-2-tert-butyl-4-phenylxanthen-9-one is sourced from PubChem (CID 146176018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).