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

C101H120N2O2 — CID 159221536

IUPAC4-(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
SMILESC#CCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(CC(CC)CCCC)(CC(CC)CCCC)c3cc(C)ccc3-4)cc2)cc1.CCCCC(CC)CC1(CC(CC)CCCC)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(O)cc4)cc3)cc21
InChIInChI=1S/C52H61NO.C49H59NO/c1-8-13-15-40(11-4)36-52(37-41(12-5)16-14-9-2)50-34-39(7)19-31-48(50)49-32-22-43(35-51(49)52)42-20-25-45(26-21-42)53(44-23-17-38(6)18-24-44)46-27-29-47(30-28-46)54-33-10-3;1-7-11-13-37(9-3)33-49(34-38(10-4)14-12-8-2)47-31-36(6)17-29-45(47)46-30-20-40(32-48(46)49)39-18-23-42(24-19-39)50(41-21-15-35(5)16-22-41)43-25-27-44(51)28-26-43/h3,17-32,34-35,40-41H,8-9,11-16,33,36-37H2,1-2,4-7H3;15-32,37-38,51H,7-14,33-34H2,1-6H3
InChIKeyKRTFJCYCTLAUKE-UHFFFAOYSA-N
MW1394.08 g/mol
LogP29.56
Rot. Bonds34

About 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

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 (PubChem CID 159221536) has the molecular formula C101H120N2O2 and a molecular weight of 1394.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID159221536
Molecular FormulaC101H120N2O2
Molecular Weight1394.08 g/mol
Exact Mass1392.93
IUPAC Name4-(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
SMILESC#CCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(CC(CC)CCCC)(CC(CC)CCCC)c3cc(C)ccc3-4)cc2)cc1.CCCCC(CC)CC1(CC(CC)CCCC)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(O)cc4)cc3)cc21
InChIInChI=1S/C52H61NO.C49H59NO/c1-8-13-15-40(11-4)36-52(37-41(12-5)16-14-9-2)50-34-39(7)19-31-48(50)49-32-22-43(35-51(49)52)42-20-25-45(26-21-42)53(44-23-17-38(6)18-24-44)46-27-29-47(30-28-46)54-33-10-3;1-7-11-13-37(9-3)33-49(34-38(10-4)14-12-8-2)47-31-36(6)17-29-45(47)46-30-20-40(32-48(46)49)39-18-23-42(24-19-39)50(41-21-15-35(5)16-22-41)43-25-27-44(51)28-26-43/h3,17-32,34-35,40-41H,8-9,11-16,33,36-37H2,1-2,4-7H3;15-32,37-38,51H,7-14,33-34H2,1-6H3
InChIKeyKRTFJCYCTLAUKE-UHFFFAOYSA-N
XLogP29.56
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds34
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001394.08
LogP ≤ 529.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
2-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]-7-methyl-9,9-dipropylfluorene
CID 58012931
2-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-7-methylfluoren-9-one
CID 20751967
2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene
CID 86093242
2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
CID 101111092
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
4-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-7-methyl-2,1,3-benzothiadiazole
CID 90352299
[4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone
CID 71131328
4-[7-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]-9,9-dipropylfluoren-2-yl]aniline
CID 175023471
2-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-5-[9-(5-methyl-1,3,4-oxadiazol-2-yl)perylen-3-yl]-1,3,4-oxadiazole
CID 58734357
N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine
CID 58251074
1,2-bis[4-[4-[4-(2-ethylhexoxy)-N-[4-(2-ethylhexoxy)phenyl]anilino]phenyl]phenyl]ethane-1,2-dione
CID 102199896

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#CCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(CC(CC)CCCC)(CC(CC)CCCC)c3cc(C)ccc3-4)cc2)cc1.CCCCC(CC)CC1(CC(CC)CCCC)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(O)cc4)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is KRTFJCYCTLAUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H61NO.C49H59NO/c1-8-13-15-40(11-4)36-52(37-41(12-5)16-14-9-2)50-34-39(7)19-31-48(50)49-32-22-43(35-51(49)52)42-20-25-45(26-21-42)53(44-23-17-38(6)18-24-44)46-27-29-47(30-28-46)54-33-10-3;1-7-11-13-37(9-3)33-49(34-38(10-4)14-12-8-2)47-31-36(6)17-29-45(47)46-30-20-40(32-48(46)49)39-18-23-42(24-19-39)50(41-21-15-35(5)16-22-41)43-25-27-44(51)28-26-43/h3,17-32,34-35,40-41H,8-9,11-16,33,36-37H2,1-2,4-7H3;15-32,37-38,51H,7-14,33-34H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1394.08 g/mol, XLogP of 29.56, 34 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159221536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).