3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole

C42H31NO2 — CID 143850973

IUPAC3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(C5CCC(c6ccc(-c7cc8ccccc8o7)cc6)O5)cc4)ccc32)cc1
InChIInChI=1S/C42H31NO2/c1-2-9-34(10-3-1)43-37-12-6-5-11-35(37)36-26-32(22-23-38(36)43)28-14-16-29(17-15-28)40-24-25-41(44-40)30-18-20-31(21-19-30)42-27-33-8-4-7-13-39(33)45-42/h1-23,26-27,40-41H,24-25H2
InChIKeyWCHTVIVISAYASY-UHFFFAOYSA-N
MW581.72 g/mol
LogP11.46
Rot. Bonds5

About 3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole

3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 143850973) has the molecular formula C42H31NO2 and a molecular weight of 581.72 g/mol. Its IUPAC name is 3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole
PubChem CID143850973
Molecular FormulaC42H31NO2
Molecular Weight581.72 g/mol
Exact Mass581.24
IUPAC Name3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(C5CCC(c6ccc(-c7cc8ccccc8o7)cc6)O5)cc4)ccc32)cc1
InChIInChI=1S/C42H31NO2/c1-2-9-34(10-3-1)43-37-12-6-5-11-35(37)36-26-32(22-23-38(36)43)28-14-16-29(17-15-28)40-24-25-41(44-40)30-18-20-31(21-19-30)42-27-33-8-4-7-13-39(33)45-42/h1-23,26-27,40-41H,24-25H2
InChIKeyWCHTVIVISAYASY-UHFFFAOYSA-N
XLogP11.46
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.72
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 70659036
3-[9-[3-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 157337313
3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 146183694
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
2-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-1-phenyl-2,3-dihydroindole
CID 143851120
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146183239
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole (CID 143850973) is 3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(C5CCC(c6ccc(-c7cc8ccccc8o7)cc6)O5)cc4)ccc32)cc1.
What is the InChIKey of 3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole?
The InChIKey is WCHTVIVISAYASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31NO2/c1-2-9-34(10-3-1)43-37-12-6-5-11-35(37)36-26-32(22-23-38(36)43)28-14-16-29(17-15-28)40-24-25-41(44-40)30-18-20-31(21-19-30)42-27-33-8-4-7-13-39(33)45-42/h1-23,26-27,40-41H,24-25H2.
What are the key properties of 3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole?
3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 581.72 g/mol, XLogP of 11.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 143850973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).