5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole

C150H175N5O — CID 58003952

IUPAC5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6cc(-c8ccc9c%10ccc(-c%11ccccc%11)cc%10c%10c(nc(-c%11c(OCC(CC)CCCC)ccc%12ccccc%11%12)n%10CC(CC)CCCC)c9c8)ccc6-7)cc5c5c(nc(-c6ccc7c(c6)c6ccccc6n7CC)n5CC(CC)CCCCCC)c4c3)cc21
InChIInChI=1S/C150H175N5O/c1-12-23-30-35-39-54-89-149(90-55-40-36-31-24-13-2)135-98-115(109-63-48-44-49-64-109)73-83-125(135)126-84-74-116(99-136(126)149)112-70-79-121-124-82-72-114(96-134(124)145-143(131(121)93-112)151-147(154(145)102-106(20-9)60-45-34-27-16-5)119-77-87-140-130(97-119)129-67-52-53-68-139(129)153(140)22-11)118-76-86-128-127-85-75-117(100-137(127)150(138(128)101-118,91-56-41-37-32-25-14-3)92-57-42-38-33-26-15-4)113-71-80-122-123-81-69-111(108-61-46-43-47-62-108)95-133(123)146-144(132(122)94-113)152-148(155(146)103-105(19-8)58-28-17-6)142-120-66-51-50-65-110(120)78-88-141(142)156-104-107(21-10)59-29-18-7/h43-44,46-53,61-88,93-101,105-107H,12-42,45,54-60,89-92,102-104H2,1-11H3
InChIKeyDHNZDHKZCAPIQO-UHFFFAOYSA-N
MW2064.08 g/mol
LogP45.29
Rot. Bonds57

About 5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole

5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole (PubChem CID 58003952) has the molecular formula C150H175N5O and a molecular weight of 2064.08 g/mol. Its IUPAC name is 5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole
PubChem CID58003952
Molecular FormulaC150H175N5O
Molecular Weight2064.08 g/mol
Exact Mass2062.38
IUPAC Name5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6cc(-c8ccc9c%10ccc(-c%11ccccc%11)cc%10c%10c(nc(-c%11c(OCC(CC)CCCC)ccc%12ccccc%11%12)n%10CC(CC)CCCC)c9c8)ccc6-7)cc5c5c(nc(-c6ccc7c(c6)c6ccccc6n7CC)n5CC(CC)CCCCCC)c4c3)cc21
InChIInChI=1S/C150H175N5O/c1-12-23-30-35-39-54-89-149(90-55-40-36-31-24-13-2)135-98-115(109-63-48-44-49-64-109)73-83-125(135)126-84-74-116(99-136(126)149)112-70-79-121-124-82-72-114(96-134(124)145-143(131(121)93-112)151-147(154(145)102-106(20-9)60-45-34-27-16-5)119-77-87-140-130(97-119)129-67-52-53-68-139(129)153(140)22-11)118-76-86-128-127-85-75-117(100-137(127)150(138(128)101-118,91-56-41-37-32-25-14-3)92-57-42-38-33-26-15-4)113-71-80-122-123-81-69-111(108-61-46-43-47-62-108)95-133(123)146-144(132(122)94-113)152-148(155(146)103-105(19-8)58-28-17-6)142-120-66-51-50-65-110(120)78-88-141(142)156-104-107(21-10)59-29-18-7/h43-44,46-53,61-88,93-101,105-107H,12-42,45,54-60,89-92,102-104H2,1-11H3
InChIKeyDHNZDHKZCAPIQO-UHFFFAOYSA-N
XLogP45.29
TPSA49.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds57
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002064.08
LogP ≤ 545.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole?
The IUPAC name of 5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole (CID 58003952) is 5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole.
What is the SMILES notation for 5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole?
The canonical SMILES for 5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6cc(-c8ccc9c%10ccc(-c%11ccccc%11)cc%10c%10c(nc(-c%11c(OCC(CC)CCCC)ccc%12ccccc%11%12)n%10CC(CC)CCCC)c9c8)ccc6-7)cc5c5c(nc(-c6ccc7c(c6)c6ccccc6n7CC)n5CC(CC)CCCCCC)c4c3)cc21.
What is the InChIKey of 5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole?
The InChIKey is DHNZDHKZCAPIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C150H175N5O/c1-12-23-30-35-39-54-89-149(90-55-40-36-31-24-13-2)135-98-115(109-63-48-44-49-64-109)73-83-125(135)126-84-74-116(99-136(126)149)112-70-79-121-124-82-72-114(96-134(124)145-143(131(121)93-112)151-147(154(145)102-106(20-9)60-45-34-27-16-5)119-77-87-140-130(97-119)129-67-52-53-68-139(129)153(140)22-11)118-76-86-128-127-85-75-117(100-137(127)150(138(128)101-118,91-56-41-37-32-25-14-3)92-57-42-38-33-26-15-4)113-71-80-122-123-81-69-111(108-61-46-43-47-62-108)95-133(123)146-144(132(122)94-113)152-148(155(146)103-105(19-8)58-28-17-6)142-120-66-51-50-65-110(120)78-88-141(142)156-104-107(21-10)59-29-18-7/h43-44,46-53,61-88,93-101,105-107H,12-42,45,54-60,89-92,102-104H2,1-11H3.
What are the key properties of 5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole?
5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole has a molecular weight of 2064.08 g/mol, XLogP of 45.29, 57 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 58003952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).