3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine

C137H171NO — CID 126614191

IUPAC3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine
SMILESCCCCCCCCC1(CCCCCCC)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc4c(c2)Oc2cc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc7c(cc5-6)C(CCCCCCC)(CCCCCCC)c5ccccc5-7)ccc2N4c2c(-c4ccccc4)cc(-c4ccccc4)cc2-c2ccccc2)cc1C3(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C137H171NO/c1-9-17-25-33-41-62-88-135(87-61-40-32-24-16-8)122-76-58-56-74-112(122)118-100-128-120(102-126(118)135)114-82-78-107(96-124(114)137(128,91-65-44-36-28-20-12-4)92-66-45-37-29-21-13-5)109-80-84-130-132(98-109)139-131-97-108(79-83-129(131)138(130)133-115(104-69-51-47-52-70-104)93-110(103-67-49-46-50-68-103)94-116(133)105-71-53-48-54-72-105)106-77-81-113-119-101-125-117(111-73-55-57-75-121(111)134(125,85-59-38-30-22-14-6)86-60-39-31-23-15-7)99-127(119)136(123(113)95-106,89-63-42-34-26-18-10-2)90-64-43-35-27-19-11-3/h46-58,67-84,93-102H,9-45,59-66,85-92H2,1-8H3
InChIKeyYEIRPCOQAPOVIY-UHFFFAOYSA-N
MW1847.88 g/mol
LogP43.50
Rot. Bonds59

About 3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine

3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine (PubChem CID 126614191) has the molecular formula C137H171NO and a molecular weight of 1847.88 g/mol. Its IUPAC name is 3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine.

Molecular Properties

Compound Name3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine
PubChem CID126614191
Molecular FormulaC137H171NO
Molecular Weight1847.88 g/mol
Exact Mass1846.34
IUPAC Name3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine
SMILESCCCCCCCCC1(CCCCCCC)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc4c(c2)Oc2cc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc7c(cc5-6)C(CCCCCCC)(CCCCCCC)c5ccccc5-7)ccc2N4c2c(-c4ccccc4)cc(-c4ccccc4)cc2-c2ccccc2)cc1C3(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C137H171NO/c1-9-17-25-33-41-62-88-135(87-61-40-32-24-16-8)122-76-58-56-74-112(122)118-100-128-120(102-126(118)135)114-82-78-107(96-124(114)137(128,91-65-44-36-28-20-12-4)92-66-45-37-29-21-13-5)109-80-84-130-132(98-109)139-131-97-108(79-83-129(131)138(130)133-115(104-69-51-47-52-70-104)93-110(103-67-49-46-50-68-103)94-116(133)105-71-53-48-54-72-105)106-77-81-113-119-101-125-117(111-73-55-57-75-121(111)134(125,85-59-38-30-22-14-6)86-60-39-31-23-15-7)99-127(119)136(123(113)95-106,89-63-42-34-26-18-10-2)90-64-43-35-27-19-11-3/h46-58,67-84,93-102H,9-45,59-66,85-92H2,1-8H3
InChIKeyYEIRPCOQAPOVIY-UHFFFAOYSA-N
XLogP43.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds59
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001847.88
LogP ≤ 543.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine with MolForge

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Related Compounds

9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine
CID 140898462
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
CID 160646857
3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine
CID 167161120
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2,5-bis[4-(9,9-dioctylfluoren-2-yl)phenyl]-1,3,4-oxadiazole
CID 58609302
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644

Frequently Asked Questions

What is the IUPAC name of 3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine?
The IUPAC name of 3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine (CID 126614191) is 3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine.
What is the SMILES notation for 3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine?
The canonical SMILES for 3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine is CCCCCCCCC1(CCCCCCC)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc4c(c2)Oc2cc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc7c(cc5-6)C(CCCCCCC)(CCCCCCC)c5ccccc5-7)ccc2N4c2c(-c4ccccc4)cc(-c4ccccc4)cc2-c2ccccc2)cc1C3(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine?
The InChIKey is YEIRPCOQAPOVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C137H171NO/c1-9-17-25-33-41-62-88-135(87-61-40-32-24-16-8)122-76-58-56-74-112(122)118-100-128-120(102-126(118)135)114-82-78-107(96-124(114)137(128,91-65-44-36-28-20-12-4)92-66-45-37-29-21-13-5)109-80-84-130-132(98-109)139-131-97-108(79-83-129(131)138(130)133-115(104-69-51-47-52-70-104)93-110(103-67-49-46-50-68-103)94-116(133)105-71-53-48-54-72-105)106-77-81-113-119-101-125-117(111-73-55-57-75-121(111)134(125,85-59-38-30-22-14-6)86-60-39-31-23-15-7)99-127(119)136(123(113)95-106,89-63-42-34-26-18-10-2)90-64-43-35-27-19-11-3/h46-58,67-84,93-102H,9-45,59-66,85-92H2,1-8H3.
What are the key properties of 3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine?
3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine has a molecular weight of 1847.88 g/mol, XLogP of 43.50, 59 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine is sourced from PubChem (CID 126614191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).