6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline

C129H146N4 — CID 91233576

IUPAC6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3nc4ccc(C5(c6ccc7nc(-c8ccc9c(c8)C(CCCCCC)(CCCCCC)c8ccccc8-9)c(-c8ccc9c(c8)C(CCCCCC)(CCCCCC)c8ccccc8-9)nc7c6)c6ccccc6-c6ccccc65)cc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3ccccc3-4)cc21
InChIInChI=1S/C129H146N4/c1-9-17-25-45-77-125(78-46-26-18-10-2)107-59-39-33-53-97(107)103-71-65-91(85-113(103)125)121-123(93-67-73-105-99-55-35-41-61-109(99)127(115(105)87-93,81-49-29-21-13-5)82-50-30-22-14-6)132-119-89-95(69-75-117(119)130-121)129(111-63-43-37-57-101(111)102-58-38-44-64-112(102)129)96-70-76-118-120(90-96)133-124(94-68-74-106-100-56-36-42-62-110(100)128(116(106)88-94,83-51-31-23-15-7)84-52-32-24-16-8)122(131-118)92-66-72-104-98-54-34-40-60-108(98)126(114(104)86-92,79-47-27-19-11-3)80-48-28-20-12-4/h33-44,53-76,85-90H,9-32,45-52,77-84H2,1-8H3
InChIKeyCRYCMXMWJGXCOQ-UHFFFAOYSA-N
MW1752.61 g/mol
LogP37.43
Rot. Bonds46

About 6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline

6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline (PubChem CID 91233576) has the molecular formula C129H146N4 and a molecular weight of 1752.61 g/mol. Its IUPAC name is 6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline.

Molecular Properties

Compound Name6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline
PubChem CID91233576
Molecular FormulaC129H146N4
Molecular Weight1752.61 g/mol
Exact Mass1751.15
IUPAC Name6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3nc4ccc(C5(c6ccc7nc(-c8ccc9c(c8)C(CCCCCC)(CCCCCC)c8ccccc8-9)c(-c8ccc9c(c8)C(CCCCCC)(CCCCCC)c8ccccc8-9)nc7c6)c6ccccc6-c6ccccc65)cc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3ccccc3-4)cc21
InChIInChI=1S/C129H146N4/c1-9-17-25-45-77-125(78-46-26-18-10-2)107-59-39-33-53-97(107)103-71-65-91(85-113(103)125)121-123(93-67-73-105-99-55-35-41-61-109(99)127(115(105)87-93,81-49-29-21-13-5)82-50-30-22-14-6)132-119-89-95(69-75-117(119)130-121)129(111-63-43-37-57-101(111)102-58-38-44-64-112(102)129)96-70-76-118-120(90-96)133-124(94-68-74-106-100-56-36-42-62-110(100)128(116(106)88-94,83-51-31-23-15-7)84-52-32-24-16-8)122(131-118)92-66-72-104-98-54-34-40-60-108(98)126(114(104)86-92,79-47-27-19-11-3)80-48-28-20-12-4/h33-44,53-76,85-90H,9-32,45-52,77-84H2,1-8H3
InChIKeyCRYCMXMWJGXCOQ-UHFFFAOYSA-N
XLogP37.43
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds46
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001752.61
LogP ≤ 537.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline with MolForge

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

Launch Full Analysis

Related Compounds

2,9-Di(naphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
CID 53403424
[5-Phenylneocuproine]2 Cu+
CID 461587
2,2',3,3'-Tetraphenyl-6,6'-biquinoxaline
CID 3106564
(1R,16S)-8,9-difluoro-1,16,23,30-tetramethyl-5,12-diazaoctacyclo[14.13.1.02,15.04,13.06,11.017,22.023,30.024,29]triaconta-2,4,6,8,10,12,14,17,19,21,24,26,28-tridecaene
CID 168330057
2,9-Dimethyl-5,7-diphenyl-1,10 phenanthroline
CID 23500008
3,14,22,33-Tetrazadecacyclo[18.18.2.02,15.04,13.06,11.016,40.021,34.023,32.025,30.035,39]tetraconta-1(39),2,4,6,8,10,12,14,16(40),17,19,21,23,25,27,29,31,33,35,37-icosaene
CID 59301841
Quinoxalinophenanthrophenazine
CID 154733225
3-(4-Methylphenyl)-2-phenyl-6-[2-phenyl-3-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
CID 58274135
3-(2-Methylphenyl)-2-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
CID 58274136
3-(4-Methylphenyl)-2-phenyl-6-[3-phenyl-2-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
CID 58274138
2-(2-Methylphenyl)-3-phenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
CID 58274141
CID 59167597
CID 59167597

Frequently Asked Questions

What is the IUPAC name of 6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline?
The IUPAC name of 6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline (CID 91233576) is 6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline.
What is the SMILES notation for 6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline?
The canonical SMILES for 6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3nc4ccc(C5(c6ccc7nc(-c8ccc9c(c8)C(CCCCCC)(CCCCCC)c8ccccc8-9)c(-c8ccc9c(c8)C(CCCCCC)(CCCCCC)c8ccccc8-9)nc7c6)c6ccccc6-c6ccccc65)cc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3ccccc3-4)cc21.
What is the InChIKey of 6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline?
The InChIKey is CRYCMXMWJGXCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C129H146N4/c1-9-17-25-45-77-125(78-46-26-18-10-2)107-59-39-33-53-97(107)103-71-65-91(85-113(103)125)121-123(93-67-73-105-99-55-35-41-61-109(99)127(115(105)87-93,81-49-29-21-13-5)82-50-30-22-14-6)132-119-89-95(69-75-117(119)130-121)129(111-63-43-37-57-101(111)102-58-38-44-64-112(102)129)96-70-76-118-120(90-96)133-124(94-68-74-106-100-56-36-42-62-110(100)128(116(106)88-94,83-51-31-23-15-7)84-52-32-24-16-8)122(131-118)92-66-72-104-98-54-34-40-60-108(98)126(114(104)86-92,79-47-27-19-11-3)80-48-28-20-12-4/h33-44,53-76,85-90H,9-32,45-52,77-84H2,1-8H3.
What are the key properties of 6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline?
6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline has a molecular weight of 1752.61 g/mol, XLogP of 37.43, 46 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[2,3-bis(9,9-dihexylfluoren-2-yl)quinoxalin-6-yl]fluoren-9-yl]-2,3-bis(9,9-dihexylfluoren-2-yl)quinoxaline is sourced from PubChem (CID 91233576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).