9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine

C94H70F2N2 — CID 166648049

IUPAC9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESC=Cc1ccc(C2(c3cc(C)ccc3C)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(c6ccc(C=C)cc6)(c6cc(C)ccc6C)c6ccccc6-7)cc5F)c(F)c4)cc32)cc1
InChIInChI=1S/C94H70F2N2/c1-7-65-31-39-71(40-32-65)93(87-55-61(3)27-29-63(87)5)85-25-17-15-23-79(85)81-51-47-75(57-89(81)93)97(73-43-35-69(36-44-73)67-19-11-9-12-20-67)77-49-53-83(91(95)59-77)84-54-50-78(60-92(84)96)98(74-45-37-70(38-46-74)68-21-13-10-14-22-68)76-48-52-82-80-24-16-18-26-86(80)94(90(82)58-76,72-41-33-66(8-2)34-42-72)88-56-62(4)28-30-64(88)6/h7-60H,1-2H2,3-6H3
InChIKeyYSMRTTQESUZXBX-UHFFFAOYSA-N
MW1265.60 g/mol
LogP25.15
Rot. Bonds15

About 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine

9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 166648049) has the molecular formula C94H70F2N2 and a molecular weight of 1265.60 g/mol. Its IUPAC name is 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID166648049
Molecular FormulaC94H70F2N2
Molecular Weight1265.60 g/mol
Exact Mass1264.55
IUPAC Name9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESC=Cc1ccc(C2(c3cc(C)ccc3C)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(c6ccc(C=C)cc6)(c6cc(C)ccc6C)c6ccccc6-7)cc5F)c(F)c4)cc32)cc1
InChIInChI=1S/C94H70F2N2/c1-7-65-31-39-71(40-32-65)93(87-55-61(3)27-29-63(87)5)85-25-17-15-23-79(85)81-51-47-75(57-89(81)93)97(73-43-35-69(36-44-73)67-19-11-9-12-20-67)77-49-53-83(91(95)59-77)84-54-50-78(60-92(84)96)98(74-45-37-70(38-46-74)68-21-13-10-14-22-68)76-48-52-82-80-24-16-18-26-86(80)94(90(82)58-76,72-41-33-66(8-2)34-42-72)88-56-62(4)28-30-64(88)6/h7-60H,1-2H2,3-6H3
InChIKeyYSMRTTQESUZXBX-UHFFFAOYSA-N
XLogP25.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001265.60
LogP ≤ 525.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 146516509
3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
CID 177262564
N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine
CID 174354316
9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-phenylfluoren-2-amine;9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-phenylfluoren-2-amine;9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine;9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]anilino)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 160550559
9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine
CID 163500868
9-(3,4-difluorophenyl)-N-[4-[4-(N-[9-(3,4-difluorophenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-9-(4-ethenylphenyl)-N-(4-fluoro-3-methylphenyl)fluoren-2-amine
CID 163644980
4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine
CID 174355086
2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 172546940
3-N,7-N-bis(3,4-difluorophenyl)-3-N,7-N-bis[3-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]dibenzofuran-3,7-diamine
CID 177262614
9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(2-fluorophenyl)fluoren-2-yl]-9-(2-fluorophenyl)-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167160954
9-[4-(4-ethenylphenyl)sulfanylphenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenyl)sulfanylphenyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 146516601
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186

Frequently Asked Questions

What is the IUPAC name of 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine (CID 166648049) is 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine is C=Cc1ccc(C2(c3cc(C)ccc3C)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(c6ccc(C=C)cc6)(c6cc(C)ccc6C)c6ccccc6-7)cc5F)c(F)c4)cc32)cc1.
What is the InChIKey of 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is YSMRTTQESUZXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H70F2N2/c1-7-65-31-39-71(40-32-65)93(87-55-61(3)27-29-63(87)5)85-25-17-15-23-79(85)81-51-47-75(57-89(81)93)97(73-43-35-69(36-44-73)67-19-11-9-12-20-67)77-49-53-83(91(95)59-77)84-54-50-78(60-92(84)96)98(74-45-37-70(38-46-74)68-21-13-10-14-22-68)76-48-52-82-80-24-16-18-26-86(80)94(90(82)58-76,72-41-33-66(8-2)34-42-72)88-56-62(4)28-30-64(88)6/h7-60H,1-2H2,3-6H3.
What are the key properties of 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine?
9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1265.60 g/mol, XLogP of 25.15, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 166648049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).