1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole

C135H82N12S3 — CID 154970779

IUPAC1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccc(-c9cccc(-c%10cc(-c%11ccccc%11)nc(-c%11cccc%12sc%13ccc(-c%14nc%15ccccc%15n%14-c%14ccccc%14)cc%13c%11%12)n%10)c9)c9sc%10ccc(-c%11nc%12ccccc%12n%11-c%11ccccc%11)cc%10c89)n7)cc6)c5)c5sc6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6c45)n3)c2)cc1
InChIInChI=1S/C135H82N12S3/c1-8-32-83(33-9-1)90-41-29-44-93(75-90)116-81-114(87-38-14-4-15-39-87)138-132(141-116)105-69-67-101(128-127(105)108-79-97(65-72-122(108)149-128)135-144-111-55-24-27-58-120(111)147(135)100-50-20-7-21-51-100)91-42-28-40-89(74-91)84-60-62-88(63-61-84)115-80-112(85-34-10-2-11-35-85)137-131(139-115)104-70-68-102(129-126(104)107-78-96(66-73-123(107)150-129)134-143-110-54-23-26-57-119(110)146(134)99-48-18-6-19-49-99)92-43-30-45-94(76-92)117-82-113(86-36-12-3-13-37-86)136-130(140-117)103-52-31-59-124-125(103)106-77-95(64-71-121(106)148-124)133-142-109-53-22-25-56-118(109)145(133)98-46-16-5-17-47-98/h1-82H
InChIKeyRWYMLVHJBSFJCM-UHFFFAOYSA-N
MW1968.43 g/mol
LogP35.85
Rot. Bonds19

About 1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole

1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole (PubChem CID 154970779) has the molecular formula C135H82N12S3 and a molecular weight of 1968.43 g/mol. Its IUPAC name is 1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole
PubChem CID154970779
Molecular FormulaC135H82N12S3
Molecular Weight1968.43 g/mol
Exact Mass1966.59
IUPAC Name1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccc(-c9cccc(-c%10cc(-c%11ccccc%11)nc(-c%11cccc%12sc%13ccc(-c%14nc%15ccccc%15n%14-c%14ccccc%14)cc%13c%11%12)n%10)c9)c9sc%10ccc(-c%11nc%12ccccc%12n%11-c%11ccccc%11)cc%10c89)n7)cc6)c5)c5sc6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6c45)n3)c2)cc1
InChIInChI=1S/C135H82N12S3/c1-8-32-83(33-9-1)90-41-29-44-93(75-90)116-81-114(87-38-14-4-15-39-87)138-132(141-116)105-69-67-101(128-127(105)108-79-97(65-72-122(108)149-128)135-144-111-55-24-27-58-120(111)147(135)100-50-20-7-21-51-100)91-42-28-40-89(74-91)84-60-62-88(63-61-84)115-80-112(85-34-10-2-11-35-85)137-131(139-115)104-70-68-102(129-126(104)107-78-96(66-73-123(107)150-129)134-143-110-54-23-26-57-119(110)146(134)99-48-18-6-19-49-99)92-43-30-45-94(76-92)117-82-113(86-36-12-3-13-37-86)136-130(140-117)103-52-31-59-124-125(103)106-77-95(64-71-121(106)148-124)133-142-109-53-22-25-56-118(109)145(133)98-46-16-5-17-47-98/h1-82H
InChIKeyRWYMLVHJBSFJCM-UHFFFAOYSA-N
XLogP35.85
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001968.43
LogP ≤ 535.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole with MolForge

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Related Compounds

1-phenyl-2-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-4-yl]benzimidazole
CID 147237634
2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole
CID 155356641
6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159111019
2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-1-phenylbenzimidazole
CID 147878529
2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 146917038
9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 161368437
2-[9-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 160957839
2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 154970633
2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1-phenylbenzimidazole
CID 152829273
2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 118507640
2-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 147448263
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole?
The IUPAC name of 1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole (CID 154970779) is 1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccc(-c9cccc(-c%10cc(-c%11ccccc%11)nc(-c%11cccc%12sc%13ccc(-c%14nc%15ccccc%15n%14-c%14ccccc%14)cc%13c%11%12)n%10)c9)c9sc%10ccc(-c%11nc%12ccccc%12n%11-c%11ccccc%11)cc%10c89)n7)cc6)c5)c5sc6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6c45)n3)c2)cc1.
What is the InChIKey of 1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole?
The InChIKey is RWYMLVHJBSFJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C135H82N12S3/c1-8-32-83(33-9-1)90-41-29-44-93(75-90)116-81-114(87-38-14-4-15-39-87)138-132(141-116)105-69-67-101(128-127(105)108-79-97(65-72-122(108)149-128)135-144-111-55-24-27-58-120(111)147(135)100-50-20-7-21-51-100)91-42-28-40-89(74-91)84-60-62-88(63-61-84)115-80-112(85-34-10-2-11-35-85)137-131(139-115)104-70-68-102(129-126(104)107-78-96(66-73-123(107)150-129)134-143-110-54-23-26-57-119(110)146(134)99-48-18-6-19-49-99)92-43-30-45-94(76-92)117-82-113(86-36-12-3-13-37-86)136-130(140-117)103-52-31-59-124-125(103)106-77-95(64-71-121(106)148-124)133-142-109-53-22-25-56-118(109)145(133)98-46-16-5-17-47-98/h1-82H.
What are the key properties of 1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole?
1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole has a molecular weight of 1968.43 g/mol, XLogP of 35.85, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole is sourced from PubChem (CID 154970779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).