15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin

C81H90N8O — CID 25082691

IUPAC15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin
SMILESCCC1=C(C)c2nc1cc1[nH]c(cc3[nH]c(cc4nc(c2Cc2cccc5c2Oc2c(Cc6c7nc(cc8[nH]c(cc9[nH]c(cc%10nc6C(C)=C%10CC)c(C)c9CC)c(CC)c8C)C(CC)=C7C)cccc2C5(C)C)C(C)=C4CC)c(C)c3CC)c(CC)c1C
InChIInChI=1S/C81H90N8O/c1-19-51-41(9)63-35-71-55(23-5)45(13)75(86-71)59(76-46(14)56(24-6)72(87-76)36-64-42(10)52(20-2)68(83-64)39-67(51)82-63)33-49-29-27-31-61-79(49)90-80-50(30-28-32-62(80)81(61,17)18)34-60-77-47(15)57(25-7)73(88-77)37-65-43(11)53(21-3)69(84-65)40-70-54(22-4)44(12)66(85-70)38-74-58(26-8)48(16)78(60)89-74/h27-32,35-40,82-85H,19-26,33-34H2,1-18H3/b63-35-,64-36-,65-37-,66-38-,67-39-,68-39-,69-40-,70-40-,71-35-,72-36-,73-37-,74-38-,75-59-,76-59-,77-60-,78-60-
InChIKeySTSNHRINZWGLBT-JDFHYJJTSA-N
MW1191.67 g/mol
LogP21.40
Rot. Bonds12

About 15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin

15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin (PubChem CID 25082691) has the molecular formula C81H90N8O and a molecular weight of 1191.67 g/mol. Its IUPAC name is 15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin
PubChem CID25082691
Molecular FormulaC81H90N8O
Molecular Weight1191.67 g/mol
Exact Mass1190.72
IUPAC Name15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin
SMILESCCC1=C(C)c2nc1cc1[nH]c(cc3[nH]c(cc4nc(c2Cc2cccc5c2Oc2c(Cc6c7nc(cc8[nH]c(cc9[nH]c(cc%10nc6C(C)=C%10CC)c(C)c9CC)c(CC)c8C)C(CC)=C7C)cccc2C5(C)C)C(C)=C4CC)c(C)c3CC)c(CC)c1C
InChIInChI=1S/C81H90N8O/c1-19-51-41(9)63-35-71-55(23-5)45(13)75(86-71)59(76-46(14)56(24-6)72(87-76)36-64-42(10)52(20-2)68(83-64)39-67(51)82-63)33-49-29-27-31-61-79(49)90-80-50(30-28-32-62(80)81(61,17)18)34-60-77-47(15)57(25-7)73(88-77)37-65-43(11)53(21-3)69(84-65)40-70-54(22-4)44(12)66(85-70)38-74-58(26-8)48(16)78(60)89-74/h27-32,35-40,82-85H,19-26,33-34H2,1-18H3/b63-35-,64-36-,65-37-,66-38-,67-39-,68-39-,69-40-,70-40-,71-35-,72-36-,73-37-,74-38-,75-59-,76-59-,77-60-,78-60-
InChIKeySTSNHRINZWGLBT-JDFHYJJTSA-N
XLogP21.40
TPSA123.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001191.67
LogP ≤ 521.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,8,12,18-tetraethyl-3,7,13,15,17-pentamethyl-21,22-dihydroporphyrin
CID 635582
4,5,10,14,19,20-hexaethyl-9,15-dimethyl-2,21,22,23,24-pentazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaene
CID 23404528
2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-23,24-dihydro-21H-porphyrin-5-imine
CID 136851358
(E)-3-(2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-23,24-dihydroporphyrin-5-yl)prop-2-en-1-ol
CID 10280227
2,3,8,12,17,18-hexaethyl-7,13-dimethyl-22,23-dihydro-21H-corrin
CID 100952744
tricopper;dizinc;5-[9,9-dimethyl-5-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)xanthen-4-yl]-2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[8-(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]porphyrin-22,24-diide;2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-5-[6-(2,8,13,17-tetraethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)dibenzothiophen-4-yl]porphyrin-22,24-diide
CID 162247241
2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,3-diol
CID 78174048
3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin
CID 177428667
2,3,7,13,17,18-hexaethyl-8,12-dimethyl-10-phenyl-22,24-dihydro-21H-corrin
CID 10650716
4-[2,8,12,18-tetraethyl-15-(4-hydroxyphenyl)-3,7,13,17-tetramethyl-21,23-dihydroporphyrin-5-yl]phenol
CID 137231820
2,8,12,13,17,18-hexaethyl-5-[8-(2,8,12,13,17,18-hexaethyl-3,7-dimethyl-21,23-dihydroporphyrin-5-yl)anthracen-1-yl]-3,7-dimethyl-21,23-dihydroporphyrin
CID 136882107
9,14,18,37,41,46-hexaethyl-8,13,19,25,27,30,36,42,47-nonamethyl-23,32,59,60,61,62,63,64-octazatetradecacyclo[52.3.1.17,10.112,15.117,20.135,38.140,43.145,48.05,57.06,24.022,26.029,33.031,49.050,55]tetrahexaconta-1(57),2,4,6(24),7,9,11,13,15(63),16,18,20,22,25,29(33),30,34,36,38(61),39,41,43,45(59),46,48,50,52,54(58),55-nonacosaene
CID 136634773

Frequently Asked Questions

What is the IUPAC name of 15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin?
The IUPAC name of 15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin (CID 25082691) is 15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin.
What is the SMILES notation for 15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin?
The canonical SMILES for 15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin is CCC1=C(C)c2nc1cc1[nH]c(cc3[nH]c(cc4nc(c2Cc2cccc5c2Oc2c(Cc6c7nc(cc8[nH]c(cc9[nH]c(cc%10nc6C(C)=C%10CC)c(C)c9CC)c(CC)c8C)C(CC)=C7C)cccc2C5(C)C)C(C)=C4CC)c(C)c3CC)c(CC)c1C.
What is the InChIKey of 15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin?
The InChIKey is STSNHRINZWGLBT-JDFHYJJTSA-N. The full InChI is InChI=1S/C81H90N8O/c1-19-51-41(9)63-35-71-55(23-5)45(13)75(86-71)59(76-46(14)56(24-6)72(87-76)36-64-42(10)52(20-2)68(83-64)39-67(51)82-63)33-49-29-27-31-61-79(49)90-80-50(30-28-32-62(80)81(61,17)18)34-60-77-47(15)57(25-7)73(88-77)37-65-43(11)53(21-3)69(84-65)40-70-54(22-4)44(12)66(85-70)38-74-58(26-8)48(16)78(60)89-74/h27-32,35-40,82-85H,19-26,33-34H2,1-18H3/b63-35-,64-36-,65-37-,66-38-,67-39-,68-39-,69-40-,70-40-,71-35-,72-36-,73-37-,74-38-,75-59-,76-59-,77-60-,78-60-.
What are the key properties of 15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin?
15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin has a molecular weight of 1191.67 g/mol, XLogP of 21.40, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[[9,9-dimethyl-5-[(2,8,13,17-tetraethyl-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl)methyl]xanthen-4-yl]methyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin is sourced from PubChem (CID 25082691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).