4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole

C50H30N2OS — CID 165168878

IUPAC4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6sc7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c6c5)c4oc32)cc1
InChIInChI=1S/C50H30N2OS/c1-2-11-34(12-3-1)52-45-20-9-6-15-39(45)48-40-17-10-16-36(49(40)53-50(48)52)33-24-28-47-42(30-33)41-29-32(23-27-46(41)54-47)31-21-25-35(26-22-31)51-43-18-7-4-13-37(43)38-14-5-8-19-44(38)51/h1-30H
InChIKeyJWOCJKTYOXPCQU-UHFFFAOYSA-N
MW706.87 g/mol
LogP14.33
Rot. Bonds4

About 4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole

4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 165168878) has the molecular formula C50H30N2OS and a molecular weight of 706.87 g/mol. Its IUPAC name is 4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID165168878
Molecular FormulaC50H30N2OS
Molecular Weight706.87 g/mol
Exact Mass706.21
IUPAC Name4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6sc7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c6c5)c4oc32)cc1
InChIInChI=1S/C50H30N2OS/c1-2-11-34(12-3-1)52-45-20-9-6-15-39(45)48-40-17-10-16-36(49(40)53-50(48)52)33-24-28-47-42(30-33)41-29-32(23-27-46(41)54-47)31-21-25-35(26-22-31)51-43-18-7-4-13-37(43)38-14-5-8-19-44(38)51/h1-30H
InChIKeyJWOCJKTYOXPCQU-UHFFFAOYSA-N
XLogP14.33
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.87
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168635
2-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168921
4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168948
4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169034
4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;6-phenyl-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole
CID 167657719
3-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-1-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 164972458
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 121449399
2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 122434626
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168876
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole (CID 165168878) is 4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole is c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6sc7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c6c5)c4oc32)cc1.
What is the InChIKey of 4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is JWOCJKTYOXPCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2OS/c1-2-11-34(12-3-1)52-45-20-9-6-15-39(45)48-40-17-10-16-36(49(40)53-50(48)52)33-24-28-47-42(30-33)41-29-32(23-27-46(41)54-47)31-21-25-35(26-22-31)51-43-18-7-4-13-37(43)38-14-5-8-19-44(38)51/h1-30H.
What are the key properties of 4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole?
4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole has a molecular weight of 706.87 g/mol, XLogP of 14.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165168878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).