9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole

C42H25NOS — CID 163656757

IUPAC9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4cc(-c5cccc6c5sc5ccccc56)ccc4n(-c4cccc5c4oc4ccccc45)c3c2)cc1
InChIInChI=1S/C42H25NOS/c1-2-10-26(11-3-1)27-20-22-30-35-24-28(29-14-8-16-34-32-13-5-7-19-40(32)45-42(29)34)21-23-36(35)43(38(30)25-27)37-17-9-15-33-31-12-4-6-18-39(31)44-41(33)37/h1-25H
InChIKeyIQWNXHNHKIYSRR-UHFFFAOYSA-N
MW591.74 g/mol
LogP12.39
Rot. Bonds3

About 9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole

9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole (PubChem CID 163656757) has the molecular formula C42H25NOS and a molecular weight of 591.74 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole
PubChem CID163656757
Molecular FormulaC42H25NOS
Molecular Weight591.74 g/mol
Exact Mass591.17
IUPAC Name9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4cc(-c5cccc6c5sc5ccccc56)ccc4n(-c4cccc5c4oc4ccccc45)c3c2)cc1
InChIInChI=1S/C42H25NOS/c1-2-10-26(11-3-1)27-20-22-30-35-24-28(29-14-8-16-34-32-13-5-7-19-40(32)45-42(29)34)21-23-36(35)43(38(30)25-27)37-17-9-15-33-31-12-4-6-18-39(31)44-41(33)37/h1-25H
InChIKeyIQWNXHNHKIYSRR-UHFFFAOYSA-N
XLogP12.39
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.74
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 159781262
9-dibenzofuran-4-yl-3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;3-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9-phenylcarbazole;9-[4-[3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenyl]carbazole
CID 165067724
9-dibenzofuran-4-yl-3-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)carbazole;3-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-9-phenylcarbazole;9-[4-[3-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]phenyl]carbazole
CID 164982315
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 159942407
5-dibenzofuran-4-yl-2-phenyl-[1]benzofuro[3,2-c]carbazole;5-dibenzothiophen-4-yl-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(6,9-diphenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 158788066
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;2-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 157382903
2-dibenzofuran-4-yl-6-[3-methyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[3-methyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 165084340
N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N-phenylaniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 164969143
N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenylaniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 159898925
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 161381988
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 162161949

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole?
The IUPAC name of 9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole (CID 163656757) is 9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole.
What is the SMILES notation for 9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole?
The canonical SMILES for 9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole is c1ccc(-c2ccc3c4cc(-c5cccc6c5sc5ccccc56)ccc4n(-c4cccc5c4oc4ccccc45)c3c2)cc1.
What is the InChIKey of 9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole?
The InChIKey is IQWNXHNHKIYSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NOS/c1-2-10-26(11-3-1)27-20-22-30-35-24-28(29-14-8-16-34-32-13-5-7-19-40(32)45-42(29)34)21-23-36(35)43(38(30)25-27)37-17-9-15-33-31-12-4-6-18-39(31)44-41(33)37/h1-25H.
What are the key properties of 9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole?
9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole has a molecular weight of 591.74 g/mol, XLogP of 12.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole is sourced from PubChem (CID 163656757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).