4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline

C117H135NO3 — CID 118468095

IUPAC4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline
SMILESCCCCC(CC)COc1ccc(-c2ccc3c(c2)C(CCC)(CCC)c2cc(-c4ccc(N(c5ccc(-c6ccc7c(c6)C(CCC)(CCC)c6cc(-c8ccc(OCC(CC)CCCC)cc8)ccc6-7)cc5)c5ccc(-c6ccc7c(c6)C(CCC)(CCC)c6cc(-c8ccc(OCC(CC)CCCC)cc8)ccc6-7)cc5)cc4)ccc2-3)cc1
InChIInChI=1S/C117H135NO3/c1-13-25-28-82(22-10)79-119-100-55-37-88(38-56-100)94-46-64-106-103-61-43-91(73-109(103)115(67-16-4,68-17-5)112(106)76-94)85-31-49-97(50-32-85)118(98-51-33-86(34-52-98)92-44-62-104-107-65-47-95(77-113(107)116(69-18-6,70-19-7)110(104)74-92)89-39-57-101(58-40-89)120-80-83(23-11)29-26-14-2)99-53-35-87(36-54-99)93-45-63-105-108-66-48-96(78-114(108)117(71-20-8,72-21-9)111(105)75-93)90-41-59-102(60-42-90)121-81-84(24-12)30-27-15-3/h31-66,73-78,82-84H,13-30,67-72,79-81H2,1-12H3
InChIKeyCYEUKAUIHIKTPR-UHFFFAOYSA-N
MW1603.37 g/mol
LogP34.54
Rot. Bonds42

About 4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline

4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline (PubChem CID 118468095) has the molecular formula C117H135NO3 and a molecular weight of 1603.37 g/mol. Its IUPAC name is 4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline
PubChem CID118468095
Molecular FormulaC117H135NO3
Molecular Weight1603.37 g/mol
Exact Mass1602.04
IUPAC Name4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline
SMILESCCCCC(CC)COc1ccc(-c2ccc3c(c2)C(CCC)(CCC)c2cc(-c4ccc(N(c5ccc(-c6ccc7c(c6)C(CCC)(CCC)c6cc(-c8ccc(OCC(CC)CCCC)cc8)ccc6-7)cc5)c5ccc(-c6ccc7c(c6)C(CCC)(CCC)c6cc(-c8ccc(OCC(CC)CCCC)cc8)ccc6-7)cc5)cc4)ccc2-3)cc1
InChIInChI=1S/C117H135NO3/c1-13-25-28-82(22-10)79-119-100-55-37-88(38-56-100)94-46-64-106-103-61-43-91(73-109(103)115(67-16-4,68-17-5)112(106)76-94)85-31-49-97(50-32-85)118(98-51-33-86(34-52-98)92-44-62-104-107-65-47-95(77-113(107)116(69-18-6,70-19-7)110(104)74-92)89-39-57-101(58-40-89)120-80-83(23-11)29-26-14-2)99-53-35-87(36-54-99)93-45-63-105-108-66-48-96(78-114(108)117(71-20-8,72-21-9)111(105)75-93)90-41-59-102(60-42-90)121-81-84(24-12)30-27-15-3/h31-66,73-78,82-84H,13-30,67-72,79-81H2,1-12H3
InChIKeyCYEUKAUIHIKTPR-UHFFFAOYSA-N
XLogP34.54
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds42
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001603.37
LogP ≤ 534.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline with MolForge

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Related Compounds

2-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]-7-methyl-9,9-dipropylfluorene
CID 58012931
4-[7-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]-9,9-dipropylfluoren-2-yl]aniline
CID 175023471
2-N,7-N-bis[4-(2-ethylhexoxy)phenyl]-9,9-dihexyl-2-N,7-N-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58058482
1,2-bis[4-[4-[4-(2-ethylhexoxy)-N-[4-(2-ethylhexoxy)phenyl]anilino]phenyl]phenyl]ethane-1,2-dione
CID 102199896
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-(N-[4-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]phenyl]-4-methylanilino)phenol;N-[4-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]phenyl]-4-methyl-N-(4-prop-2-ynoxyphenyl)aniline
CID 159221536
2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]-5-[3-[4-(2-ethylbutoxy)phenyl]-5-[4-(2-ethylhexoxy)phenyl]phenyl]phenyl]-7-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]-5-[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(2-ethylpentoxy)phenyl]phenyl]phenyl]-9H-fluorene
CID 88938245
2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
CID 101111092
3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole
CID 67067487
2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene
CID 86093242
2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-methoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-9,9-dioctylfluorene
CID 162420614

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline?
The IUPAC name of 4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline (CID 118468095) is 4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline.
What is the SMILES notation for 4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline?
The canonical SMILES for 4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline is CCCCC(CC)COc1ccc(-c2ccc3c(c2)C(CCC)(CCC)c2cc(-c4ccc(N(c5ccc(-c6ccc7c(c6)C(CCC)(CCC)c6cc(-c8ccc(OCC(CC)CCCC)cc8)ccc6-7)cc5)c5ccc(-c6ccc7c(c6)C(CCC)(CCC)c6cc(-c8ccc(OCC(CC)CCCC)cc8)ccc6-7)cc5)cc4)ccc2-3)cc1.
What is the InChIKey of 4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline?
The InChIKey is CYEUKAUIHIKTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H135NO3/c1-13-25-28-82(22-10)79-119-100-55-37-88(38-56-100)94-46-64-106-103-61-43-91(73-109(103)115(67-16-4,68-17-5)112(106)76-94)85-31-49-97(50-32-85)118(98-51-33-86(34-52-98)92-44-62-104-107-65-47-95(77-113(107)116(69-18-6,70-19-7)110(104)74-92)89-39-57-101(58-40-89)120-80-83(23-11)29-26-14-2)99-53-35-87(36-54-99)93-45-63-105-108-66-48-96(78-114(108)117(71-20-8,72-21-9)111(105)75-93)90-41-59-102(60-42-90)121-81-84(24-12)30-27-15-3/h31-66,73-78,82-84H,13-30,67-72,79-81H2,1-12H3.
What are the key properties of 4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline?
4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline has a molecular weight of 1603.37 g/mol, XLogP of 34.54, 42 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline is sourced from PubChem (CID 118468095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).