3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

C44H28N2O — CID 70658948

IUPAC3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5coc6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C44H28N2O/c1-2-12-32(13-3-1)45-40-18-7-4-15-34(40)37-26-29(21-23-42(37)45)30-22-24-43-38(27-30)35-16-5-8-19-41(35)46(43)33-14-10-11-31(25-33)39-28-47-44-20-9-6-17-36(39)44/h1-28H
InChIKeyLNYQVJWQHSMVPT-UHFFFAOYSA-N
MW600.72 g/mol
LogP11.96
Rot. Bonds4

About 3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 70658948) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID70658948
Molecular FormulaC44H28N2O
Molecular Weight600.72 g/mol
Exact Mass600.22
IUPAC Name3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5coc6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C44H28N2O/c1-2-12-32(13-3-1)45-40-18-7-4-15-34(40)37-26-29(21-23-42(37)45)30-22-24-43-38(27-30)35-16-5-8-19-41(35)46(43)33-14-10-11-31(25-33)39-28-47-44-20-9-6-17-36(39)44/h1-28H
InChIKeyLNYQVJWQHSMVPT-UHFFFAOYSA-N
XLogP11.96
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 90350957
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 158212129

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 70658948) is 3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5coc6ccccc56)c4)ccc32)cc1.
What is the InChIKey of 3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is LNYQVJWQHSMVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c1-2-12-32(13-3-1)45-40-18-7-4-15-34(40)37-26-29(21-23-42(37)45)30-22-24-43-38(27-30)35-16-5-8-19-41(35)46(43)33-14-10-11-31(25-33)39-28-47-44-20-9-6-17-36(39)44/h1-28H.
What are the key properties of 3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 600.72 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 70658948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).