8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine

C107H64N12S — CID 129253531

IUPAC8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)c9ncncc9n%10-c9ccccc9)cc8n(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6)c6sc7cccnc7c6c5)cc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C107H64N12S/c1-6-23-65(24-7-1)88-61-101(113-106(111-88)67-27-10-3-11-28-67)118-92-38-21-16-33-77(92)80-46-40-71(55-96(80)118)70-44-50-94-85(54-70)79-35-18-20-37-91(79)117(94)76-59-83(105-87(60-76)104-100(120-105)39-22-52-109-104)73-42-48-82-81-47-41-72(56-97(81)119(98(82)57-73)102-62-89(66-25-8-2-9-26-66)112-107(114-102)68-29-12-4-13-30-68)69-43-49-93-84(53-69)78-34-17-19-36-90(78)116(93)75-45-51-95-86(58-75)103-99(63-108-64-110-103)115(95)74-31-14-5-15-32-74/h1-64H
InChIKeyIZQGIDZBYHASMZ-UHFFFAOYSA-N
MW1549.84 g/mol
LogP26.97
Rot. Bonds12

About 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine

8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine (PubChem CID 129253531) has the molecular formula C107H64N12S and a molecular weight of 1549.84 g/mol. Its IUPAC name is 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine
PubChem CID129253531
Molecular FormulaC107H64N12S
Molecular Weight1549.84 g/mol
Exact Mass1548.51
IUPAC Name8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)c9ncncc9n%10-c9ccccc9)cc8n(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6)c6sc7cccnc7c6c5)cc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C107H64N12S/c1-6-23-65(24-7-1)88-61-101(113-106(111-88)67-27-10-3-11-28-67)118-92-38-21-16-33-77(92)80-46-40-71(55-96(80)118)70-44-50-94-85(54-70)79-35-18-20-37-91(79)117(94)76-59-83(105-87(60-76)104-100(120-105)39-22-52-109-104)73-42-48-82-81-47-41-72(56-97(81)119(98(82)57-73)102-62-89(66-25-8-2-9-26-66)112-107(114-102)68-29-12-4-13-30-68)69-43-49-93-84(53-69)78-34-17-19-36-90(78)116(93)75-45-51-95-86(58-75)103-99(63-108-64-110-103)115(95)74-31-14-5-15-32-74/h1-64H
InChIKeyIZQGIDZBYHASMZ-UHFFFAOYSA-N
XLogP26.97
TPSA114.88 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001549.84
LogP ≤ 526.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine (CID 129253531) is 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine is c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)c9ncncc9n%10-c9ccccc9)cc8n(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6)c6sc7cccnc7c6c5)cc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is IZQGIDZBYHASMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H64N12S/c1-6-23-65(24-7-1)88-61-101(113-106(111-88)67-27-10-3-11-28-67)118-92-38-21-16-33-77(92)80-46-40-71(55-96(80)118)70-44-50-94-85(54-70)79-35-18-20-37-91(79)117(94)76-59-83(105-87(60-76)104-100(120-105)39-22-52-109-104)73-42-48-82-81-47-41-72(56-97(81)119(98(82)57-73)102-62-89(66-25-8-2-9-26-66)112-107(114-102)68-29-12-4-13-30-68)69-43-49-93-84(53-69)78-34-17-19-36-90(78)116(93)75-45-51-95-86(58-75)103-99(63-108-64-110-103)115(95)74-31-14-5-15-32-74/h1-64H.
What are the key properties of 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine?
8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 1549.84 g/mol, XLogP of 26.97, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrimido[5,4-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 129253531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).