1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole

C40H23NO — CID 143424118

IUPAC1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1c(-c3cc4ccc5ccc(-c6cccc7c6oc6ccccc67)c6ccc(c3)c4c56)cccc12
InChIInChI=1S/C40H23NO/c1-3-13-35-29(7-1)32-10-5-9-27(39(32)41-35)26-21-24-16-15-23-17-19-28(31-20-18-25(22-26)37(24)38(23)31)33-11-6-12-34-30-8-2-4-14-36(30)42-40(33)34/h1-22,41H
InChIKeyKNZVTFHTCOXZFV-UHFFFAOYSA-N
MW533.63 g/mol
LogP11.45
Rot. Bonds2

About 1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole

1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole (PubChem CID 143424118) has the molecular formula C40H23NO and a molecular weight of 533.63 g/mol. Its IUPAC name is 1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole.

Molecular Properties

Compound Name1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole
PubChem CID143424118
Molecular FormulaC40H23NO
Molecular Weight533.63 g/mol
Exact Mass533.18
IUPAC Name1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1c(-c3cc4ccc5ccc(-c6cccc7c6oc6ccccc67)c6ccc(c3)c4c56)cccc12
InChIInChI=1S/C40H23NO/c1-3-13-35-29(7-1)32-10-5-9-27(39(32)41-35)26-21-24-16-15-23-17-19-28(31-20-18-25(22-26)37(24)38(23)31)33-11-6-12-34-30-8-2-4-14-36(30)42-40(33)34/h1-22,41H
InChIKeyKNZVTFHTCOXZFV-UHFFFAOYSA-N
XLogP11.45
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 511.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 90219451
4-(4-pyren-1-ylnaphthalen-1-yl)dibenzofuran;4-(6-pyren-1-ylnaphthalen-2-yl)dibenzofuran;4-[3-(4-pyren-1-ylphenyl)phenyl]dibenzofuran;4-[4-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 159155826
4-[3-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 58273516
4-[4-[6-(4-phenylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273601
4-[6-(6-phenylpyren-1-yl)naphthalen-2-yl]dibenzofuran
CID 58273738
8-(3-dibenzofuran-4-ylphenyl)-7H-benzo[c]carbazole
CID 145419361
6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran
CID 170150572
2-pyren-1-yl-6-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556403
2-[7-[4-(6-dibenzofuran-4-yl-8-naphthalen-1-ylpyren-1-yl)dibenzofuran-2-yl]pyren-1-yl]-8-(8-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 170104818
2-pyren-1-yl-8-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556407
12H-[1]benzofuro[2,3-a]carbazole;ethane
CID 145125553
3,5-di(pyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940257

Frequently Asked Questions

What is the IUPAC name of 1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole?
The IUPAC name of 1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole (CID 143424118) is 1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole.
What is the SMILES notation for 1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole?
The canonical SMILES for 1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole is c1ccc2c(c1)[nH]c1c(-c3cc4ccc5ccc(-c6cccc7c6oc6ccccc67)c6ccc(c3)c4c56)cccc12.
What is the InChIKey of 1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole?
The InChIKey is KNZVTFHTCOXZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23NO/c1-3-13-35-29(7-1)32-10-5-9-27(39(32)41-35)26-21-24-16-15-23-17-19-28(31-20-18-25(22-26)37(24)38(23)31)33-11-6-12-34-30-8-2-4-14-36(30)42-40(33)34/h1-22,41H.
What are the key properties of 1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole?
1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole has a molecular weight of 533.63 g/mol, XLogP of 11.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-dibenzofuran-4-ylpyren-2-yl)-9H-carbazole is sourced from PubChem (CID 143424118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).