2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine

C74H42N8S2 — CID 138493467

IUPAC2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc2c(c1)sc1c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-n5c6ccccc6c6ccccc65)nc5c4sc4ccccc45)cc3)nc(-n3c4ccccc4c4ccccc43)nc12
InChIInChI=1S/C74H42N8S2/c1-11-27-59-47(17-1)48-18-2-12-28-60(48)81(59)73-75-67(70-68(76-73)53-23-7-15-31-65(53)83-70)45-36-40-63-56(42-45)51-21-5-9-25-57(51)79(63)46-37-33-43(34-38-46)44-35-39-64-55(41-44)52-22-6-10-26-58(52)80(64)72-71-69(54-24-8-16-32-66(54)84-71)77-74(78-72)82-61-29-13-3-19-49(61)50-20-4-14-30-62(50)82/h1-42H
InChIKeyIPVFVLQOBBFJSY-UHFFFAOYSA-N
MW1107.34 g/mol
LogP19.72
Rot. Bonds6

About 2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine

2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 138493467) has the molecular formula C74H42N8S2 and a molecular weight of 1107.34 g/mol. Its IUPAC name is 2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID138493467
Molecular FormulaC74H42N8S2
Molecular Weight1107.34 g/mol
Exact Mass1106.30
IUPAC Name2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc2c(c1)sc1c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-n5c6ccccc6c6ccccc65)nc5c4sc4ccccc45)cc3)nc(-n3c4ccccc4c4ccccc43)nc12
InChIInChI=1S/C74H42N8S2/c1-11-27-59-47(17-1)48-18-2-12-28-60(48)81(59)73-75-67(70-68(76-73)53-23-7-15-31-65(53)83-70)45-36-40-63-56(42-45)51-21-5-9-25-57(51)79(63)46-37-33-43(34-38-46)44-35-39-64-55(41-44)52-22-6-10-26-58(52)80(64)72-71-69(54-24-8-16-32-66(54)84-71)77-74(78-72)82-61-29-13-3-19-49(61)50-20-4-14-30-62(50)82/h1-42H
InChIKeyIPVFVLQOBBFJSY-UHFFFAOYSA-N
XLogP19.72
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.34
LogP ≤ 519.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine (CID 138493467) is 2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine is c1ccc2c(c1)sc1c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-n5c6ccccc6c6ccccc65)nc5c4sc4ccccc45)cc3)nc(-n3c4ccccc4c4ccccc43)nc12.
What is the InChIKey of 2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is IPVFVLQOBBFJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H42N8S2/c1-11-27-59-47(17-1)48-18-2-12-28-60(48)81(59)73-75-67(70-68(76-73)53-23-7-15-31-65(53)83-70)45-36-40-63-56(42-45)51-21-5-9-25-57(51)79(63)46-37-33-43(34-38-46)44-35-39-64-55(41-44)52-22-6-10-26-58(52)80(64)72-71-69(54-24-8-16-32-66(54)84-71)77-74(78-72)82-61-29-13-3-19-49(61)50-20-4-14-30-62(50)82/h1-42H.
What are the key properties of 2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine?
2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 1107.34 g/mol, XLogP of 19.72, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-4-[3-[4-[3-(2-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)carbazol-9-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 138493467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).