3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole

C52H32N2S2 — CID 121316442

IUPAC3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccc(-c7cccc8sccc78)cc6c6cc(-c7cccc8sccc78)ccc65)cc4)ccc32)cc1
InChIInChI=1S/C52H32N2S2/c1-2-8-37(9-3-1)53-47-13-5-4-10-41(47)44-30-34(18-23-48(44)53)33-16-21-38(22-17-33)54-49-24-19-35(39-11-6-14-51-42(39)26-28-55-51)31-45(49)46-32-36(20-25-50(46)54)40-12-7-15-52-43(40)27-29-56-52/h1-32H
InChIKeyWPZOPLOHZKGRTM-UHFFFAOYSA-N
MW748.98 g/mol
LogP15.31
Rot. Bonds5

About 3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole

3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole (PubChem CID 121316442) has the molecular formula C52H32N2S2 and a molecular weight of 748.98 g/mol. Its IUPAC name is 3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
PubChem CID121316442
Molecular FormulaC52H32N2S2
Molecular Weight748.98 g/mol
Exact Mass748.20
IUPAC Name3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccc(-c7cccc8sccc78)cc6c6cc(-c7cccc8sccc78)ccc65)cc4)ccc32)cc1
InChIInChI=1S/C52H32N2S2/c1-2-8-37(9-3-1)53-47-13-5-4-10-41(47)44-30-34(18-23-48(44)53)33-16-21-38(22-17-33)54-49-24-19-35(39-11-6-14-51-42(39)26-28-55-51)31-45(49)46-32-36(20-25-50(46)54)40-12-7-15-52-43(40)27-29-56-52/h1-32H
InChIKeyWPZOPLOHZKGRTM-UHFFFAOYSA-N
XLogP15.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.98
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
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
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The IUPAC name of 3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole (CID 121316442) is 3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The canonical SMILES for 3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccc(-c7cccc8sccc78)cc6c6cc(-c7cccc8sccc78)ccc65)cc4)ccc32)cc1.
What is the InChIKey of 3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The InChIKey is WPZOPLOHZKGRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S2/c1-2-8-37(9-3-1)53-47-13-5-4-10-41(47)44-30-34(18-23-48(44)53)33-16-21-38(22-17-33)54-49-24-19-35(39-11-6-14-51-42(39)26-28-55-51)31-45(49)46-32-36(20-25-50(46)54)40-12-7-15-52-43(40)27-29-56-52/h1-32H.
What are the key properties of 3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole has a molecular weight of 748.98 g/mol, XLogP of 15.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(1-benzothiophen-4-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 121316442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).