5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin

C112H90Cl4N4O4 — CID 100915687

IUPAC5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin
SMILESClc1cccc(OCc2cc3ccc2CCc2ccc(cc2)CC3)c1-c1c2nc(c(-c3c(Cl)cccc3OCc3cc4ccc3CCc3ccc(cc3)CC4)c3ccc([nH]3)c(-c3c(Cl)cccc3OCc3cc4ccc3CCc3ccc(cc3)CC4)c3nc(c(-c4c(Cl)cccc4OCc4cc5ccc4CCc4ccc(cc4)CC5)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C112H90Cl4N4O4/c113-89-5-1-9-101(121-65-85-61-77-33-29-69-13-21-73(22-14-69)37-45-81(85)49-41-77)105(89)109-93-53-55-95(117-93)110(106-90(114)6-2-10-102(106)122-66-86-62-78-34-30-70-15-23-74(24-16-70)38-46-82(86)50-42-78)97-57-59-99(119-97)112(108-92(116)8-4-12-104(108)124-68-88-64-80-36-32-72-19-27-76(28-20-72)40-48-84(88)52-44-80)100-60-58-98(120-100)111(96-56-54-94(109)118-96)107-91(115)7-3-11-103(107)123-67-87-63-79-35-31-71-17-25-75(26-18-71)39-47-83(87)51-43-79/h1-28,41-44,49-64,117,120H,29-40,45-48,65-68H2/b109-93+,109-94+,110-95+,110-97+,111-96+,111-98+,112-99+,112-100+
InChIKeyMYEDUMXZNOPSMS-OYOWQKSCSA-N
MW1697.79 g/mol
LogP27.79
Rot. Bonds16

About 5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin

5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin (PubChem CID 100915687) has the molecular formula C112H90Cl4N4O4 and a molecular weight of 1697.79 g/mol. Its IUPAC name is 5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin
PubChem CID100915687
Molecular FormulaC112H90Cl4N4O4
Molecular Weight1697.79 g/mol
Exact Mass1694.57
IUPAC Name5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin
SMILESClc1cccc(OCc2cc3ccc2CCc2ccc(cc2)CC3)c1-c1c2nc(c(-c3c(Cl)cccc3OCc3cc4ccc3CCc3ccc(cc3)CC4)c3ccc([nH]3)c(-c3c(Cl)cccc3OCc3cc4ccc3CCc3ccc(cc3)CC4)c3nc(c(-c4c(Cl)cccc4OCc4cc5ccc4CCc4ccc(cc4)CC5)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C112H90Cl4N4O4/c113-89-5-1-9-101(121-65-85-61-77-33-29-69-13-21-73(22-14-69)37-45-81(85)49-41-77)105(89)109-93-53-55-95(117-93)110(106-90(114)6-2-10-102(106)122-66-86-62-78-34-30-70-15-23-74(24-16-70)38-46-82(86)50-42-78)97-57-59-99(119-97)112(108-92(116)8-4-12-104(108)124-68-88-64-80-36-32-72-19-27-76(28-20-72)40-48-84(88)52-44-80)100-60-58-98(120-100)111(96-56-54-94(109)118-96)107-91(115)7-3-11-103(107)123-67-87-63-79-35-31-71-17-25-75(26-18-71)39-47-83(87)51-43-79/h1-28,41-44,49-64,117,120H,29-40,45-48,65-68H2/b109-93+,109-94+,110-95+,110-97+,111-96+,111-98+,112-99+,112-100+
InChIKeyMYEDUMXZNOPSMS-OYOWQKSCSA-N
XLogP27.79
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001697.79
LogP ≤ 527.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-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

4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride
CID 135749835
5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin
CID 10796407
5,10,15-tris(2,6-dichlorophenyl)-20-(4-nitrophenyl)-21,23-dihydroporphyrin
CID 141330427
13-(2,6-dichlorophenyl)-21,22-dihydroporphyrin;5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin
CID 158167207
CID 135548066
CID 135548066
5,10,15,20-tetrakis[4-(naphthalen-1-ylmethoxy)phenyl]-21,23-dihydroporphyrin
CID 101494518
platinum(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin-22,24-diide
CID 177026078
iron(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin-22,24-diide
CID 140665842
5,10,15-tris(2,6-difluorophenyl)-20-(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin
CID 136880995
5,10,15,20-tetrakis[4-[[3,5-bis(prop-2-ynoxy)phenyl]methoxy]phenyl]-21,23-dihydroporphyrin
CID 132526208
5,10,15,20-tetrakis(4-ethoxy-2,3,5,6-tetrafluorophenyl)-21,23-dihydroporphyrin
CID 136745174
5,10,15,20-tetrakis(3-ethynylphenyl)-21,23-dihydroporphyrin
CID 136707552

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin (CID 100915687) is 5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin is Clc1cccc(OCc2cc3ccc2CCc2ccc(cc2)CC3)c1-c1c2nc(c(-c3c(Cl)cccc3OCc3cc4ccc3CCc3ccc(cc3)CC4)c3ccc([nH]3)c(-c3c(Cl)cccc3OCc3cc4ccc3CCc3ccc(cc3)CC4)c3nc(c(-c4c(Cl)cccc4OCc4cc5ccc4CCc4ccc(cc4)CC5)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin?
The InChIKey is MYEDUMXZNOPSMS-OYOWQKSCSA-N. The full InChI is InChI=1S/C112H90Cl4N4O4/c113-89-5-1-9-101(121-65-85-61-77-33-29-69-13-21-73(22-14-69)37-45-81(85)49-41-77)105(89)109-93-53-55-95(117-93)110(106-90(114)6-2-10-102(106)122-66-86-62-78-34-30-70-15-23-74(24-16-70)38-46-82(86)50-42-78)97-57-59-99(119-97)112(108-92(116)8-4-12-104(108)124-68-88-64-80-36-32-72-19-27-76(28-20-72)40-48-84(88)52-44-80)100-60-58-98(120-100)111(96-56-54-94(109)118-96)107-91(115)7-3-11-103(107)123-67-87-63-79-35-31-71-17-25-75(26-18-71)39-47-83(87)51-43-79/h1-28,41-44,49-64,117,120H,29-40,45-48,65-68H2/b109-93+,109-94+,110-95+,110-97+,111-96+,111-98+,112-99+,112-100+.
What are the key properties of 5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin?
5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin has a molecular weight of 1697.79 g/mol, XLogP of 27.79, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis[2-chloro-6-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethoxy)phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 100915687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).