10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin

C107H102F12N8 — CID 91005631

IUPAC10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
SMILESCCc1c2[nH]c(c1C)C(c1ccccc1C(F)(F)F)=c1[nH]c(c(CC)c1C)=C(c1ccc3c(c1)C(C)(C)c1cc(C4=c5[nH]c(c(C)c5CC)=C(c5ccccc5C(F)(F)F)c5[nH]c(c(CC)c5C)C=c5[nH]c(c(C)c5CC)=C(c5ccccc5C(F)(F)F)c5[nH]c4c(CC)c5C)ccc1-3)c1[nH]c(c(C)c1CC)C(c1ccccc1C(F)(F)F)=c1[nH]c(c(CC)c1C)=C2
InChIInChI=1S/C107H102F12N8/c1-19-61-51(9)91-87(71-35-27-31-39-75(71)104(108,109)110)95-55(13)65(23-5)99(124-95)85(100-66(24-6)56(14)96(125-100)88(72-36-28-32-40-76(72)105(111,112)113)92-52(10)62(20-2)82(121-92)49-81(61)120-91)59-43-45-69-70-46-44-60(48-80(70)103(17,18)79(69)47-59)86-101-67(25-7)57(15)97(126-101)89(73-37-29-33-41-77(73)106(114,115)116)93-53(11)63(21-3)83(122-93)50-84-64(22-4)54(12)94(123-84)90(98-58(16)68(26-8)102(86)127-98)74-38-30-34-42-78(74)107(117,118)119/h27-50,120-127H,19-26H2,1-18H3
InChIKeyBWGGFLKDTZPDMU-UHFFFAOYSA-N
MW1728.02 g/mol
LogP21.43
Rot. Bonds14

About 10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin

10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin (PubChem CID 91005631) has the molecular formula C107H102F12N8 and a molecular weight of 1728.02 g/mol. Its IUPAC name is 10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
PubChem CID91005631
Molecular FormulaC107H102F12N8
Molecular Weight1728.02 g/mol
Exact Mass1726.80
IUPAC Name10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
SMILESCCc1c2[nH]c(c1C)C(c1ccccc1C(F)(F)F)=c1[nH]c(c(CC)c1C)=C(c1ccc3c(c1)C(C)(C)c1cc(C4=c5[nH]c(c(C)c5CC)=C(c5ccccc5C(F)(F)F)c5[nH]c(c(CC)c5C)C=c5[nH]c(c(C)c5CC)=C(c5ccccc5C(F)(F)F)c5[nH]c4c(CC)c5C)ccc1-3)c1[nH]c(c(C)c1CC)C(c1ccccc1C(F)(F)F)=c1[nH]c(c(CC)c1C)=C2
InChIInChI=1S/C107H102F12N8/c1-19-61-51(9)91-87(71-35-27-31-39-75(71)104(108,109)110)95-55(13)65(23-5)99(124-95)85(100-66(24-6)56(14)96(125-100)88(72-36-28-32-40-76(72)105(111,112)113)92-52(10)62(20-2)82(121-92)49-81(61)120-91)59-43-45-69-70-46-44-60(48-80(70)103(17,18)79(69)47-59)86-101-67(25-7)57(15)97(126-101)89(73-37-29-33-41-77(73)106(114,115)116)93-53(11)63(21-3)83(122-93)50-84-64(22-4)54(12)94(123-84)90(98-58(16)68(26-8)102(86)127-98)74-38-30-34-42-78(74)107(117,118)119/h27-50,120-127H,19-26H2,1-18H3
InChIKeyBWGGFLKDTZPDMU-UHFFFAOYSA-N
XLogP21.43
TPSA126.32 Ų
H-Bond Donors8
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001728.02
LogP ≤ 521.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 100

Analyze 10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin (CID 91005631) is 10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin is CCc1c2[nH]c(c1C)C(c1ccccc1C(F)(F)F)=c1[nH]c(c(CC)c1C)=C(c1ccc3c(c1)C(C)(C)c1cc(C4=c5[nH]c(c(C)c5CC)=C(c5ccccc5C(F)(F)F)c5[nH]c(c(CC)c5C)C=c5[nH]c(c(C)c5CC)=C(c5ccccc5C(F)(F)F)c5[nH]c4c(CC)c5C)ccc1-3)c1[nH]c(c(C)c1CC)C(c1ccccc1C(F)(F)F)=c1[nH]c(c(CC)c1C)=C2.
What is the InChIKey of 10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
The InChIKey is BWGGFLKDTZPDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H102F12N8/c1-19-61-51(9)91-87(71-35-27-31-39-75(71)104(108,109)110)95-55(13)65(23-5)99(124-95)85(100-66(24-6)56(14)96(125-100)88(72-36-28-32-40-76(72)105(111,112)113)92-52(10)62(20-2)82(121-92)49-81(61)120-91)59-43-45-69-70-46-44-60(48-80(70)103(17,18)79(69)47-59)86-101-67(25-7)57(15)97(126-101)89(73-37-29-33-41-77(73)106(114,115)116)93-53(11)63(21-3)83(122-93)50-84-64(22-4)54(12)94(123-84)90(98-58(16)68(26-8)102(86)127-98)74-38-30-34-42-78(74)107(117,118)119/h27-50,120-127H,19-26H2,1-18H3.
What are the key properties of 10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin has a molecular weight of 1728.02 g/mol, XLogP of 21.43, 14 rotatable bonds, 8 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9,9-dimethyl-7-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]fluoren-2-yl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91005631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).