7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine

C105H93F6N5O2S3 — CID 177493508

IUPAC7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(COc4ccc(C5=CC6=C7C(=C8C=C(c9ccc(OCc%10ccc(-c%11cnc(-c%12ccc(N(c%13ccccc%13)c%13ccccc%13)cc%12)c%12nsnc%11%12)cc%10)cc9)SC8(C)C6(C)S5)C(F)(F)C(F)(F)C7(F)F)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C105H93F6N5O2S3/c1-5-7-9-11-13-27-61-102(62-28-14-12-10-8-6-2)89-63-77(51-59-86(89)87-60-54-83(64-90(87)102)116(80-33-23-17-24-34-80)81-35-25-18-26-36-81)72-41-37-70(38-42-72)68-117-84-55-47-74(48-56-84)93-65-91-95-96(104(108,109)105(110,111)103(95,106)107)92-66-94(120-101(92,4)100(91,3)119-93)75-49-57-85(58-50-75)118-69-71-39-43-73(44-40-71)88-67-112-97(99-98(88)113-121-114-99)76-45-52-82(53-46-76)115(78-29-19-15-20-30-78)79-31-21-16-22-32-79/h15-26,29-60,63-67H,5-14,27-28,61-62,68-69H2,1-4H3
InChIKeyBDGJQSQNSUPPSA-UHFFFAOYSA-N
MW1667.12 g/mol
LogP30.87
Rot. Bonds31

About 7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine

7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine (PubChem CID 177493508) has the molecular formula C105H93F6N5O2S3 and a molecular weight of 1667.12 g/mol. Its IUPAC name is 7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine
PubChem CID177493508
Molecular FormulaC105H93F6N5O2S3
Molecular Weight1667.12 g/mol
Exact Mass1665.64
IUPAC Name7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(COc4ccc(C5=CC6=C7C(=C8C=C(c9ccc(OCc%10ccc(-c%11cnc(-c%12ccc(N(c%13ccccc%13)c%13ccccc%13)cc%12)c%12nsnc%11%12)cc%10)cc9)SC8(C)C6(C)S5)C(F)(F)C(F)(F)C7(F)F)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C105H93F6N5O2S3/c1-5-7-9-11-13-27-61-102(62-28-14-12-10-8-6-2)89-63-77(51-59-86(89)87-60-54-83(64-90(87)102)116(80-33-23-17-24-34-80)81-35-25-18-26-36-81)72-41-37-70(38-42-72)68-117-84-55-47-74(48-56-84)93-65-91-95-96(104(108,109)105(110,111)103(95,106)107)92-66-94(120-101(92,4)100(91,3)119-93)75-49-57-85(58-50-75)118-69-71-39-43-73(44-40-71)88-67-112-97(99-98(88)113-121-114-99)76-45-52-82(53-46-76)115(78-29-19-15-20-30-78)79-31-21-16-22-32-79/h15-26,29-60,63-67H,5-14,27-28,61-62,68-69H2,1-4H3
InChIKeyBDGJQSQNSUPPSA-UHFFFAOYSA-N
XLogP30.87
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds31
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001667.12
LogP ≤ 530.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine with MolForge

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Related Compounds

7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine
CID 177395138
4-[8-[4-[[4-(13,13,14,14,15,15-hexafluoro-6,7-dimethyl-9-phenyl-5,8-dithia-3,10-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,3,9,11-tetraen-4-yl)phenoxy]methyl]phenyl]quinoxalin-5-yl]-N,N-diphenylaniline
CID 177588152
4-[7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-(5-phenylthiophen-2-yl)-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-N,N-diphenylaniline
CID 177608461
4-[7-[4-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(5-phenylthiophen-2-yl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]methyl]phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-N,N-diphenylaniline
CID 177610051
8-[4-[9,9-Bis(4-hexoxyphenyl)-7-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]fluoren-2-yl]-3-methylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59546669
8-[4-[7-[2,6-Dimethyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-9,9-bis(4-hexoxyphenyl)fluoren-2-yl]-3,5-dimethylphenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59546676

Frequently Asked Questions

What is the IUPAC name of 7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine?
The IUPAC name of 7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine (CID 177493508) is 7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(COc4ccc(C5=CC6=C7C(=C8C=C(c9ccc(OCc%10ccc(-c%11cnc(-c%12ccc(N(c%13ccccc%13)c%13ccccc%13)cc%12)c%12nsnc%11%12)cc%10)cc9)SC8(C)C6(C)S5)C(F)(F)C(F)(F)C7(F)F)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine?
The InChIKey is BDGJQSQNSUPPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H93F6N5O2S3/c1-5-7-9-11-13-27-61-102(62-28-14-12-10-8-6-2)89-63-77(51-59-86(89)87-60-54-83(64-90(87)102)116(80-33-23-17-24-34-80)81-35-25-18-26-36-81)72-41-37-70(38-42-72)68-117-84-55-47-74(48-56-84)93-65-91-95-96(104(108,109)105(110,111)103(95,106)107)92-66-94(120-101(92,4)100(91,3)119-93)75-49-57-85(58-50-75)118-69-71-39-43-73(44-40-71)88-67-112-97(99-98(88)113-121-114-99)76-45-52-82(53-46-76)115(78-29-19-15-20-30-78)79-31-21-16-22-32-79/h15-26,29-60,63-67H,5-14,27-28,61-62,68-69H2,1-4H3.
What are the key properties of 7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine?
7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine has a molecular weight of 1667.12 g/mol, XLogP of 30.87, 31 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[[4-[8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-[[4-[4-[4-(N-phenylanilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]phenyl]methoxy]phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy]methyl]phenyl]-9,9-dioctyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 177493508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).