7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine

C101H115BrN4 — CID 102098264

IUPAC7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(-c3nc4cc5c(cc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c6ccccc6)c6ccccc6)ccc3-4)C(CCCCCC)(CCCCCC)c3cc(Br)ccc3-5)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C101H115BrN4/c1-7-13-19-37-61-99(62-38-20-14-8-2)89-67-74(51-56-83(89)85-59-54-81(70-92(85)99)105(77-43-29-25-30-44-77)78-45-31-26-32-46-78)97-98(104-96-73-94-88(72-95(96)103-97)87-58-53-76(102)69-91(87)101(94,65-41-23-17-11-5)66-42-24-18-12-6)75-52-57-84-86-60-55-82(106(79-47-33-27-34-48-79)80-49-35-28-36-50-80)71-93(86)100(90(84)68-75,63-39-21-15-9-3)64-40-22-16-10-4/h25-36,43-60,67-73H,7-24,37-42,61-66H2,1-6H3
InChIKeyQJFWXGJDZMZHGC-UHFFFAOYSA-N
MW1464.96 g/mol
LogP31.29
Rot. Bonds38

About 7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine

7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine (PubChem CID 102098264) has the molecular formula C101H115BrN4 and a molecular weight of 1464.96 g/mol. Its IUPAC name is 7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
PubChem CID102098264
Molecular FormulaC101H115BrN4
Molecular Weight1464.96 g/mol
Exact Mass1462.83
IUPAC Name7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(-c3nc4cc5c(cc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c6ccccc6)c6ccccc6)ccc3-4)C(CCCCCC)(CCCCCC)c3cc(Br)ccc3-5)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C101H115BrN4/c1-7-13-19-37-61-99(62-38-20-14-8-2)89-67-74(51-56-83(89)85-59-54-81(70-92(85)99)105(77-43-29-25-30-44-77)78-45-31-26-32-46-78)97-98(104-96-73-94-88(72-95(96)103-97)87-58-53-76(102)69-91(87)101(94,65-41-23-17-11-5)66-42-24-18-12-6)75-52-57-84-86-60-55-82(106(79-47-33-27-34-48-79)80-49-35-28-36-50-80)71-93(86)100(90(84)68-75,63-39-21-15-9-3)64-40-22-16-10-4/h25-36,43-60,67-73H,7-24,37-42,61-66H2,1-6H3
InChIKeyQJFWXGJDZMZHGC-UHFFFAOYSA-N
XLogP31.29
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds38
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001464.96
LogP ≤ 531.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine with MolForge

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Related Compounds

6-[10-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-(5-methyl-5,6-dihydronaphthalen-1-yl)-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline
CID 163511952
6-[10-(9,9-Dimethyl-1,2-dihydrofluoren-2-yl)-3-phenylanthracen-9-yl]-2-[4-[9,9-dimethyl-7-[2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]fluoren-3-yl]phenyl]-3-phenylquinoxaline
CID 164063248
6,6'-(9h-Fluoren-9,9-diyl)bis(2,3-bis(9,9-dihexyl-9h-fluoren-2-yl)quinoxaline)
CID 91233576
7-[2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexyl-8-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]indeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
CID 102098263
(2,3-Bis(9,9-dihexyl-9h-fluoren-2-yl) quinoxaline)
CID 129721912
2-[(4-Bromophenyl)methyl]-6,7-dimethyl-3-phenylquinoxaline
CID 139225980
ZINC 2,18-bis(6-bromo-9,9-dipentylfluoren-3-yl)-5,10,15-tris(3,5-ditert-butylphenyl)porphyrin-22,24-diide
CID 139260819
7-[8-[(E)-2-[4-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]-N-[4-[(E)-2-[2,3-bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[1,2-g]quinoxalin-8-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
CID 139261878
7-[3-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-6-ethenylquinoxalin-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
CID 102114219
5,8-Bis(7-methyl-9,9-dioctylfluoren-2-yl)-2,3-diphenylquinoxaline
CID 20779706
2,9-Bis(1,9-dimethylfluoren-9-yl)-4,7-diphenyl-1,10-phenanthroline
CID 22971992
CID 23590261
CID 23590261

Frequently Asked Questions

What is the IUPAC name of 7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
The IUPAC name of 7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine (CID 102098264) is 7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine is CCCCCCC1(CCCCCC)c2cc(-c3nc4cc5c(cc4nc3-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c6ccccc6)c6ccccc6)ccc3-4)C(CCCCCC)(CCCCCC)c3cc(Br)ccc3-5)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
The InChIKey is QJFWXGJDZMZHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H115BrN4/c1-7-13-19-37-61-99(62-38-20-14-8-2)89-67-74(51-56-83(89)85-59-54-81(70-92(85)99)105(77-43-29-25-30-44-77)78-45-31-26-32-46-78)97-98(104-96-73-94-88(72-95(96)103-97)87-58-53-76(102)69-91(87)101(94,65-41-23-17-11-5)66-42-24-18-12-6)75-52-57-84-86-60-55-82(106(79-47-33-27-34-48-79)80-49-35-28-36-50-80)71-93(86)100(90(84)68-75,63-39-21-15-9-3)64-40-22-16-10-4/h25-36,43-60,67-73H,7-24,37-42,61-66H2,1-6H3.
What are the key properties of 7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine?
7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine has a molecular weight of 1464.96 g/mol, XLogP of 31.29, 38 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-bromo-2-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-10,10-dihexylindeno[2,1-g]quinoxalin-3-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 102098264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).