9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole

C70H42N4S2 — CID 58099752

IUPAC9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole
SMILESc1cncc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccc4sc5c(-c6cccc7c6sc6ccccc67)cc(-c6cccc(-n7c8ccccc8c8cc(-c9cccnc9)ccc87)c6)cc5c4c3)c2)c1
InChIInChI=1S/C70H42N4S2/c1-4-23-63-53(18-1)58-36-46(48-14-10-32-71-41-48)26-29-65(58)73(63)51-16-7-12-43(34-51)45-28-31-68-60(38-45)62-40-50(39-61(70(62)76-68)57-22-9-21-56-55-20-3-6-25-67(55)75-69(56)57)44-13-8-17-52(35-44)74-64-24-5-2-19-54(64)59-37-47(27-30-66(59)74)49-15-11-33-72-42-49/h1-42H
InChIKeyJEXSNRZEQCSVOD-UHFFFAOYSA-N
MW1003.27 g/mol
LogP19.74
Rot. Bonds7

About 9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole

9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole (PubChem CID 58099752) has the molecular formula C70H42N4S2 and a molecular weight of 1003.27 g/mol. Its IUPAC name is 9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole.

Molecular Properties

Compound Name9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole
PubChem CID58099752
Molecular FormulaC70H42N4S2
Molecular Weight1003.27 g/mol
Exact Mass1002.29
IUPAC Name9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole
SMILESc1cncc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccc4sc5c(-c6cccc7c6sc6ccccc67)cc(-c6cccc(-n7c8ccccc8c8cc(-c9cccnc9)ccc87)c6)cc5c4c3)c2)c1
InChIInChI=1S/C70H42N4S2/c1-4-23-63-53(18-1)58-36-46(48-14-10-32-71-41-48)26-29-65(58)73(63)51-16-7-12-43(34-51)45-28-31-68-60(38-45)62-40-50(39-61(70(62)76-68)57-22-9-21-56-55-20-3-6-25-67(55)75-69(56)57)44-13-8-17-52(35-44)74-64-24-5-2-19-54(64)59-37-47(27-30-66(59)74)49-15-11-33-72-42-49/h1-42H
InChIKeyJEXSNRZEQCSVOD-UHFFFAOYSA-N
XLogP19.74
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.27
LogP ≤ 519.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole?
The IUPAC name of 9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole (CID 58099752) is 9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole.
What is the SMILES notation for 9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole?
The canonical SMILES for 9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole is c1cncc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccc4sc5c(-c6cccc7c6sc6ccccc67)cc(-c6cccc(-n7c8ccccc8c8cc(-c9cccnc9)ccc87)c6)cc5c4c3)c2)c1.
What is the InChIKey of 9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole?
The InChIKey is JEXSNRZEQCSVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N4S2/c1-4-23-63-53(18-1)58-36-46(48-14-10-32-71-41-48)26-29-65(58)73(63)51-16-7-12-43(34-51)45-28-31-68-60(38-45)62-40-50(39-61(70(62)76-68)57-22-9-21-56-55-20-3-6-25-67(55)75-69(56)57)44-13-8-17-52(35-44)74-64-24-5-2-19-54(64)59-37-47(27-30-66(59)74)49-15-11-33-72-42-49/h1-42H.
What are the key properties of 9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole?
9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole has a molecular weight of 1003.27 g/mol, XLogP of 19.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-dibenzothiophen-4-yl-8-[3-(3-pyridin-3-ylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]-3-pyridin-3-ylcarbazole is sourced from PubChem (CID 58099752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).