4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine

C142H83N11S3 — CID 134316407

IUPAC4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5cc(-c6cccc(-c7cc(-c8cc(-c9ccnc%10c9sc9ccccc9%10)cc(-n9c%10ccccc%10c%10ccc(-c%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13cc(-c%14ccc%15c%16ccccc%16c%16ccccc%16c%15c%14)cc(-c%14ccnc%15c%14sc%14ccccc%14%15)c%13)n%12)c%11)cc%109)c8)nc(-c8ccccc8)n7)c6)ccc45)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1
InChIInChI=1S/C142H83N11S3/c1-5-29-84(30-6-1)123-82-124(85-31-7-2-8-32-85)147-141(146-123)103-74-98(107-62-65-144-133-118-49-21-25-53-130(118)155-136(107)133)71-99(75-103)120-80-93-37-13-14-42-105(93)121-78-90(55-59-114(120)121)88-38-27-40-94(67-88)125-83-126(149-138(148-125)86-33-9-3-10-34-86)101-72-100(108-63-66-145-134-119-50-22-26-54-131(119)156-137(108)134)76-104(77-101)153-127-51-23-19-47-115(127)116-60-57-92(81-128(116)153)89-39-28-41-95(68-89)140-150-139(87-35-11-4-12-36-87)151-142(152-140)102-70-96(69-97(73-102)106-61-64-143-132-117-48-20-24-52-129(117)154-135(106)132)91-56-58-113-111-45-16-15-43-109(111)110-44-17-18-46-112(110)122(113)79-91/h1-83H
InChIKeyFINQKFLHQQYGHT-UHFFFAOYSA-N
MW2039.50 g/mol
LogP38.28
Rot. Bonds17

About 4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine

4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine (PubChem CID 134316407) has the molecular formula C142H83N11S3 and a molecular weight of 2039.50 g/mol. Its IUPAC name is 4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine
PubChem CID134316407
Molecular FormulaC142H83N11S3
Molecular Weight2039.50 g/mol
Exact Mass2037.60
IUPAC Name4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5cc(-c6cccc(-c7cc(-c8cc(-c9ccnc%10c9sc9ccccc9%10)cc(-n9c%10ccccc%10c%10ccc(-c%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13cc(-c%14ccc%15c%16ccccc%16c%16ccccc%16c%15c%14)cc(-c%14ccnc%15c%14sc%14ccccc%14%15)c%13)n%12)c%11)cc%109)c8)nc(-c8ccccc8)n7)c6)ccc45)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1
InChIInChI=1S/C142H83N11S3/c1-5-29-84(30-6-1)123-82-124(85-31-7-2-8-32-85)147-141(146-123)103-74-98(107-62-65-144-133-118-49-21-25-53-130(118)155-136(107)133)71-99(75-103)120-80-93-37-13-14-42-105(93)121-78-90(55-59-114(120)121)88-38-27-40-94(67-88)125-83-126(149-138(148-125)86-33-9-3-10-34-86)101-72-100(108-63-66-145-134-119-50-22-26-54-131(119)156-137(108)134)76-104(77-101)153-127-51-23-19-47-115(127)116-60-57-92(81-128(116)153)89-39-28-41-95(68-89)140-150-139(87-35-11-4-12-36-87)151-142(152-140)102-70-96(69-97(73-102)106-61-64-143-132-117-48-20-24-52-129(117)154-135(106)132)91-56-58-113-111-45-16-15-43-109(111)110-44-17-18-46-112(110)122(113)79-91/h1-83H
InChIKeyFINQKFLHQQYGHT-UHFFFAOYSA-N
XLogP38.28
TPSA133.83 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002039.50
LogP ≤ 538.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine (CID 134316407) is 4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5cc(-c6cccc(-c7cc(-c8cc(-c9ccnc%10c9sc9ccccc9%10)cc(-n9c%10ccccc%10c%10ccc(-c%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13cc(-c%14ccc%15c%16ccccc%16c%16ccccc%16c%15c%14)cc(-c%14ccnc%15c%14sc%14ccccc%14%15)c%13)n%12)c%11)cc%109)c8)nc(-c8ccccc8)n7)c6)ccc45)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1.
What is the InChIKey of 4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is FINQKFLHQQYGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H83N11S3/c1-5-29-84(30-6-1)123-82-124(85-31-7-2-8-32-85)147-141(146-123)103-74-98(107-62-65-144-133-118-49-21-25-53-130(118)155-136(107)133)71-99(75-103)120-80-93-37-13-14-42-105(93)121-78-90(55-59-114(120)121)88-38-27-40-94(67-88)125-83-126(149-138(148-125)86-33-9-3-10-34-86)101-72-100(108-63-66-145-134-119-50-22-26-54-131(119)156-137(108)134)76-104(77-101)153-127-51-23-19-47-115(127)116-60-57-92(81-128(116)153)89-39-28-41-95(68-89)140-150-139(87-35-11-4-12-36-87)151-142(152-140)102-70-96(69-97(73-102)106-61-64-143-132-117-48-20-24-52-129(117)154-135(106)132)91-56-58-113-111-45-16-15-43-109(111)110-44-17-18-46-112(110)122(113)79-91/h1-83H.
What are the key properties of 4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine?
4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 2039.50 g/mol, XLogP of 38.28, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[3-[9-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-[6-[3-[10-[3-([1]benzothiolo[3,2-b]pyridin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenanthren-3-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylen-2-ylphenyl]-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 134316407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).