4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline

C141H201NO6S3 — CID 139258639

IUPAC4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline
SMILESCCCCCCCCCC1(CCCCCCCCC)c2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)C(CCCCCCCCC)(CCCCCCCCC)c5cc(S(=O)(=O)CCCCCCCC)ccc5-6)cc4)c4ccc(/C=C/c5ccc6c(c5)C(CCCCCCCCC)(CCCCCCCCC)c5cc(S(=O)(=O)CCCCCCCC)ccc5-6)cc4)cc3)ccc2-c2ccc(S(=O)(=O)CCCCCCCC)cc21
InChIInChI=1S/C141H201NO6S3/c1-10-19-28-37-46-52-61-100-139(101-62-53-47-38-29-20-11-2)133-109-118(82-94-127(133)130-97-91-124(112-136(130)139)149(143,144)106-67-58-43-34-25-16-7)73-70-115-76-85-121(86-77-115)142(122-87-78-116(79-88-122)71-74-119-83-95-128-131-98-92-125(150(145,146)107-68-59-44-35-26-17-8)113-137(131)140(134(128)110-119,102-63-54-48-39-30-21-12-3)103-64-55-49-40-31-22-13-4)123-89-80-117(81-90-123)72-75-120-84-96-129-132-99-93-126(151(147,148)108-69-60-45-36-27-18-9)114-138(132)141(135(129)111-120,104-65-56-50-41-32-23-14-5)105-66-57-51-42-33-24-15-6/h70-99,109-114H,10-69,100-108H2,1-9H3/b73-70+,74-71+,75-72+
InChIKeyAJNDZHYFPGNLFM-KPWKXILASA-N
MW2102.36 g/mol
LogP43.71
Rot. Bonds81

About 4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline

4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline (PubChem CID 139258639) has the molecular formula C141H201NO6S3 and a molecular weight of 2102.36 g/mol. Its IUPAC name is 4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline
PubChem CID139258639
Molecular FormulaC141H201NO6S3
Molecular Weight2102.36 g/mol
Exact Mass2100.46
IUPAC Name4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline
SMILESCCCCCCCCCC1(CCCCCCCCC)c2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)C(CCCCCCCCC)(CCCCCCCCC)c5cc(S(=O)(=O)CCCCCCCC)ccc5-6)cc4)c4ccc(/C=C/c5ccc6c(c5)C(CCCCCCCCC)(CCCCCCCCC)c5cc(S(=O)(=O)CCCCCCCC)ccc5-6)cc4)cc3)ccc2-c2ccc(S(=O)(=O)CCCCCCCC)cc21
InChIInChI=1S/C141H201NO6S3/c1-10-19-28-37-46-52-61-100-139(101-62-53-47-38-29-20-11-2)133-109-118(82-94-127(133)130-97-91-124(112-136(130)139)149(143,144)106-67-58-43-34-25-16-7)73-70-115-76-85-121(86-77-115)142(122-87-78-116(79-88-122)71-74-119-83-95-128-131-98-92-125(150(145,146)107-68-59-44-35-26-17-8)113-137(131)140(134(128)110-119,102-63-54-48-39-30-21-12-3)103-64-55-49-40-31-22-13-4)123-89-80-117(81-90-123)72-75-120-84-96-129-132-99-93-126(151(147,148)108-69-60-45-36-27-18-9)114-138(132)141(135(129)111-120,104-65-56-50-41-32-23-14-5)105-66-57-51-42-33-24-15-6/h70-99,109-114H,10-69,100-108H2,1-9H3/b73-70+,74-71+,75-72+
InChIKeyAJNDZHYFPGNLFM-KPWKXILASA-N
XLogP43.71
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds81
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002102.36
LogP ≤ 543.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline with MolForge

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Related Compounds

2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol
CID 139258640
4-[(E)-2-[9,9-dihexyl-7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]fluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 102326993
9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine
CID 102507465
9,9-dihexyl-N,N-bis[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 59470044
9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 101407197
9,9-didecyl-7-(N-phenylanilino)fluorene-2-carbaldehyde
CID 22723475
4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 10898275
9,9-dibutyl-2,7-bis[(E)-2-(4-methylphenyl)ethenyl]fluorene
CID 122221081
2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
CID 134849382
2-methyl-9,9-dioctyl-7-[(E)-prop-1-enyl]fluorene
CID 59348469
1-[N-methyl-4-[2-(4-octylsulfonylphenyl)ethenyl]anilino]ethanol
CID 67847329
7-[7-(7-formyl-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene-2-carbaldehyde
CID 23624923

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline?
The IUPAC name of 4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline (CID 139258639) is 4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline.
What is the SMILES notation for 4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline?
The canonical SMILES for 4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline is CCCCCCCCCC1(CCCCCCCCC)c2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)C(CCCCCCCCC)(CCCCCCCCC)c5cc(S(=O)(=O)CCCCCCCC)ccc5-6)cc4)c4ccc(/C=C/c5ccc6c(c5)C(CCCCCCCCC)(CCCCCCCCC)c5cc(S(=O)(=O)CCCCCCCC)ccc5-6)cc4)cc3)ccc2-c2ccc(S(=O)(=O)CCCCCCCC)cc21.
What is the InChIKey of 4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline?
The InChIKey is AJNDZHYFPGNLFM-KPWKXILASA-N. The full InChI is InChI=1S/C141H201NO6S3/c1-10-19-28-37-46-52-61-100-139(101-62-53-47-38-29-20-11-2)133-109-118(82-94-127(133)130-97-91-124(112-136(130)139)149(143,144)106-67-58-43-34-25-16-7)73-70-115-76-85-121(86-77-115)142(122-87-78-116(79-88-122)71-74-119-83-95-128-131-98-92-125(150(145,146)107-68-59-44-35-26-17-8)113-137(131)140(134(128)110-119,102-63-54-48-39-30-21-12-3)103-64-55-49-40-31-22-13-4)123-89-80-117(81-90-123)72-75-120-84-96-129-132-99-93-126(151(147,148)108-69-60-45-36-27-18-9)114-138(132)141(135(129)111-120,104-65-56-50-41-32-23-14-5)105-66-57-51-42-33-24-15-6/h70-99,109-114H,10-69,100-108H2,1-9H3/b73-70+,74-71+,75-72+.
What are the key properties of 4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline?
4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline has a molecular weight of 2102.36 g/mol, XLogP of 43.71, 81 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline is sourced from PubChem (CID 139258639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).