1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole

C56H34N2OS — CID 159815376

IUPAC1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2cccc3oc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cccc(-c6cccc7c6sc6ccccc67)c54)cc23)cc1
InChIInChI=1S/C56H34N2OS/c1-3-14-35(15-4-1)39-20-13-26-52-48(39)34-54(59-52)58-51-31-29-37(36-28-30-50-46(32-36)40-18-7-9-25-49(40)57(50)38-16-5-2-6-17-38)33-47(51)43-22-11-21-42(55(43)58)45-24-12-23-44-41-19-8-10-27-53(41)60-56(44)45/h1-34H
InChIKeyNLNXYVPYVAWXRF-UHFFFAOYSA-N
MW782.97 g/mol
LogP16.00
Rot. Bonds5

About 1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole

1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 159815376) has the molecular formula C56H34N2OS and a molecular weight of 782.97 g/mol. Its IUPAC name is 1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole
PubChem CID159815376
Molecular FormulaC56H34N2OS
Molecular Weight782.97 g/mol
Exact Mass782.24
IUPAC Name1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2cccc3oc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cccc(-c6cccc7c6sc6ccccc67)c54)cc23)cc1
InChIInChI=1S/C56H34N2OS/c1-3-14-35(15-4-1)39-20-13-26-52-48(39)34-54(59-52)58-51-31-29-37(36-28-30-50-46(32-36)40-18-7-9-25-49(40)57(50)38-16-5-2-6-17-38)33-47(51)43-22-11-21-42(55(43)58)45-24-12-23-44-41-19-8-10-27-53(41)60-56(44)45/h1-34H
InChIKeyNLNXYVPYVAWXRF-UHFFFAOYSA-N
XLogP16.00
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.97
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
15-(4-dibenzothiophen-4-ylphenyl)-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(9-phenylcarbazol-3-yl)-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[4-(9-phenylcarbazol-3-yl)phenyl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 158535789
9-phenyl-3-[8-(4-phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]carbazole
CID 164838503
3-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 166953306
3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170135119
1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496848
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223327
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole (CID 159815376) is 1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2cccc3oc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cccc(-c6cccc7c6sc6ccccc67)c54)cc23)cc1.
What is the InChIKey of 1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is NLNXYVPYVAWXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2OS/c1-3-14-35(15-4-1)39-20-13-26-52-48(39)34-54(59-52)58-51-31-29-37(36-28-30-50-46(32-36)40-18-7-9-25-49(40)57(50)38-16-5-2-6-17-38)33-47(51)43-22-11-21-42(55(43)58)45-24-12-23-44-41-19-8-10-27-53(41)60-56(44)45/h1-34H.
What are the key properties of 1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole?
1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 782.97 g/mol, XLogP of 16.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 159815376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).