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

C38H24N2O — CID 90350957

IUPAC3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4coc5ccccc45)ccc32)cc1
InChIInChI=1S/C38H24N2O/c1-2-10-27(11-3-1)39-33-15-7-4-12-28(33)31-22-25(18-20-35(31)39)26-19-21-36-32(23-26)29-13-5-8-16-34(29)40(36)37-24-41-38-17-9-6-14-30(37)38/h1-24H
InChIKeyBUWWGIOHIYXSHX-UHFFFAOYSA-N
MW524.62 g/mol
LogP10.29
Rot. Bonds3

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

3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 90350957) has the molecular formula C38H24N2O and a molecular weight of 524.62 g/mol. Its IUPAC name is 3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID90350957
Molecular FormulaC38H24N2O
Molecular Weight524.62 g/mol
Exact Mass524.19
IUPAC Name3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4coc5ccccc45)ccc32)cc1
InChIInChI=1S/C38H24N2O/c1-2-10-27(11-3-1)39-33-15-7-4-12-28(33)31-22-25(18-20-35(31)39)26-19-21-36-32(23-26)29-13-5-8-16-34(29)40(36)37-24-41-38-17-9-6-14-30(37)38/h1-24H
InChIKeyBUWWGIOHIYXSHX-UHFFFAOYSA-N
XLogP10.29
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 70658948
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
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
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554

Frequently Asked Questions

What is the IUPAC name of 3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole (CID 90350957) is 3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4coc5ccccc45)ccc32)cc1.
What is the InChIKey of 3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is BUWWGIOHIYXSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O/c1-2-10-27(11-3-1)39-33-15-7-4-12-28(33)31-22-25(18-20-35(31)39)26-19-21-36-32(23-26)29-13-5-8-16-34(29)40(36)37-24-41-38-17-9-6-14-30(37)38/h1-24H.
What are the key properties of 3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 524.62 g/mol, XLogP of 10.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 90350957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).