N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline

C74H72F6N6O2 — CID 91588979

IUPACN-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline
SMILESCCCCC(CC)COc1ccc(N(c2ccccc2)c2ccc(C3=c4ccc([nH]4)=C(C(F)(F)F)c4ccc([nH]4)C(c4ccc(N(c5ccccc5)c5ccc(OCC(CC)CCCC)cc5)cc4)=c4ccc([nH]4)=C(C(F)(F)F)c4ccc3[nH]4)cc2)cc1
InChIInChI=1S/C74H72F6N6O2/c1-5-9-17-49(7-3)47-87-59-35-31-57(32-36-59)85(53-19-13-11-14-20-53)55-27-23-51(24-28-55)69-61-39-43-65(81-61)71(73(75,76)77)67-45-41-63(83-67)70(64-42-46-68(84-64)72(74(78,79)80)66-44-40-62(69)82-66)52-25-29-56(30-26-52)86(54-21-15-12-16-22-54)58-33-37-60(38-34-58)88-48-50(8-4)18-10-6-2/h11-16,19-46,49-50,81-84H,5-10,17-18,47-48H2,1-4H3
InChIKeyYLGBPVCBDICTNE-UHFFFAOYSA-N
MW1191.42 g/mol
LogP17.46
Rot. Bonds22

About N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline

N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline (PubChem CID 91588979) has the molecular formula C74H72F6N6O2 and a molecular weight of 1191.42 g/mol. Its IUPAC name is N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline
PubChem CID91588979
Molecular FormulaC74H72F6N6O2
Molecular Weight1191.42 g/mol
Exact Mass1190.56
IUPAC NameN-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline
SMILESCCCCC(CC)COc1ccc(N(c2ccccc2)c2ccc(C3=c4ccc([nH]4)=C(C(F)(F)F)c4ccc([nH]4)C(c4ccc(N(c5ccccc5)c5ccc(OCC(CC)CCCC)cc5)cc4)=c4ccc([nH]4)=C(C(F)(F)F)c4ccc3[nH]4)cc2)cc1
InChIInChI=1S/C74H72F6N6O2/c1-5-9-17-49(7-3)47-87-59-35-31-57(32-36-59)85(53-19-13-11-14-20-53)55-27-23-51(24-28-55)69-61-39-43-65(81-61)71(73(75,76)77)67-45-41-63(83-67)70(64-42-46-68(84-64)72(74(78,79)80)66-44-40-62(69)82-66)52-25-29-56(30-26-52)86(54-21-15-12-16-22-54)58-33-37-60(38-34-58)88-48-50(8-4)18-10-6-2/h11-16,19-46,49-50,81-84H,5-10,17-18,47-48H2,1-4H3
InChIKeyYLGBPVCBDICTNE-UHFFFAOYSA-N
XLogP17.46
TPSA88.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001191.42
LogP ≤ 517.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline with MolForge

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Related Compounds

5-(4-Pentafluorophenyloxy-phenyl)-10,15,20-triphenyl-porphyrin
CID 135524771
5,10,15,20-Tetrakis(4-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin
CID 417161
5,10,15,20-Tetrakis(2-hexadecoxyphenyl)-21,22,23,24-tetrahydroporphyrin
CID 91224675
5,10,15,20-Tetrakis(4-prop-2-enoxyphenyl)-21,22,23,24-tetrahydroporphyrin
CID 91440385
N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 59227155
5,10,15,20-Tetrakis(2,4-difluoro-3-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin
CID 91198287
N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]aniline
CID 91573495
5,15-Bis(4-fluoro-3-methylphenyl)-10,20-bis(4-methoxyphenyl)-21,22,23,24-tetrahydroporphyrin
CID 123886817
6-N-(4-methoxyphenyl)-3-N,6-N-bis[4-(trifluoromethoxy)phenyl]-9H-carbazole-3,6-diamine
CID 134220711
N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,23-dihydroporphyrin-5-yl]-N-phenylaniline
CID 136194063
N-cyclohexa-1,5-dien-1-yl-N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10-methyl-20-(trifluoromethyl)-21,23-dihydroporphyrin-5-yl]aniline
CID 136485888
[[(5Z)-5-[1-[(5Z)-5-[[5-[(3Z)-4-azanidylhexa-3,5-dien-1-yn-3-yl]-1H-pyrrol-2-yl]-[4-(2-butyloctoxy)-3-fluorophenyl]methylidene]pyrrol-2-yl]prop-2-ynylidene]pyrrol-2-yl]-[4-(2-butyloctoxy)-3-fluorophenyl]methylidene]zinc
CID 153532905

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline?
The IUPAC name of N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline (CID 91588979) is N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline.
What is the SMILES notation for N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline?
The canonical SMILES for N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline is CCCCC(CC)COc1ccc(N(c2ccccc2)c2ccc(C3=c4ccc([nH]4)=C(C(F)(F)F)c4ccc([nH]4)C(c4ccc(N(c5ccccc5)c5ccc(OCC(CC)CCCC)cc5)cc4)=c4ccc([nH]4)=C(C(F)(F)F)c4ccc3[nH]4)cc2)cc1.
What is the InChIKey of N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline?
The InChIKey is YLGBPVCBDICTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H72F6N6O2/c1-5-9-17-49(7-3)47-87-59-35-31-57(32-36-59)85(53-19-13-11-14-20-53)55-27-23-51(24-28-55)69-61-39-43-65(81-61)71(73(75,76)77)67-45-41-63(83-67)70(64-42-46-68(84-64)72(74(78,79)80)66-44-40-62(69)82-66)52-25-29-56(30-26-52)86(54-21-15-12-16-22-54)58-33-37-60(38-34-58)88-48-50(8-4)18-10-6-2/h11-16,19-46,49-50,81-84H,5-10,17-18,47-48H2,1-4H3.
What are the key properties of N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline?
N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline has a molecular weight of 1191.42 g/mol, XLogP of 17.46, 22 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline is sourced from PubChem (CID 91588979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).