26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol

C68H67N5O6 — CID 136884107

About 26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol

26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol (PubChem CID 136884107) has the molecular formula C68H67N5O6 and a molecular weight of 1050.31 g/mol. Its IUPAC name is 26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol.

Molecular Properties

• Compound Name: 26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
• PubChem CID: 136884107
• Molecular Formula: C68H67N5O6
• Molecular Weight: 1050.31 g/mol
• Exact Mass: 1049.51
• IUPAC Name: 26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
• SMILES: CCC1=C(C)c2nc1cc1[nH]c(c(C)c1CC)c(-c1ccccc1)c1nc(cc3[nH]c(c(C)c3CC)c2-c2cc3c(O)c(c2)Cc2cccc(c2OC)Cc2cc([N+](=O)[O-])cc(c2O)Cc2cccc(c2OC)C3)C(CC)=C1C
• InChI: InChI=1S/C68H67N5O6/c1-11-51-36(5)61-59(40-20-16-15-17-21-40)62-37(6)52(12-2)56(70-62)35-58-54(14-4)39(8)64(72-58)60(63-38(7)53(13-3)57(71-63)34-55(51)69-61)45-30-46-26-41-22-18-24-43(67(41)78-9)28-48-32-50(73(76)77)33-49(66(48)75)29-44-25-19-23-42(68(44)79-10)27-47(31-45)65(46)74/h15-25,30-35,69,72,74-75H,11-14,26-29H2,1-10H3/b55-34-,56-35-,57-34-,58-35-,61-59-,62-59-,63-60-,64-60-
• InChIKey: NFQAFYZBJHDJHH-AROYBAFISA-N
• XLogP: 16.09
• TPSA: 159.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1050.31
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?

The IUPAC name of 26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol (CID 136884107) is 26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol.

What is the SMILES notation for 26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?

The canonical SMILES for 26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol is CCC1=C(C)c2nc1cc1[nH]c(c(C)c1CC)c(-c1ccccc1)c1nc(cc3[nH]c(c(C)c3CC)c2-c2cc3c(O)c(c2)Cc2cccc(c2OC)Cc2cc([N+](=O)[O-])cc(c2O)Cc2cccc(c2OC)C3)C(CC)=C1C.

What is the InChIKey of 26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?

The InChIKey is NFQAFYZBJHDJHH-AROYBAFISA-N. The full InChI is InChI=1S/C68H67N5O6/c1-11-51-36(5)61-59(40-20-16-15-17-21-40)62-37(6)52(12-2)56(70-62)35-58-54(14-4)39(8)64(72-58)60(63-38(7)53(13-3)57(71-63)34-55(51)69-61)45-30-46-26-41-22-18-24-43(67(41)78-9)28-48-32-50(73(76)77)33-49(66(48)75)29-44-25-19-23-42(68(44)79-10)27-47(31-45)65(46)74/h15-25,30-35,69,72,74-75H,11-14,26-29H2,1-10H3/b55-34-,56-35-,57-34-,58-35-,61-59-,62-59-,63-60-,64-60-.

What are the key properties of 26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?

26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol has a molecular weight of 1050.31 g/mol, XLogP of 16.09, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 26,28-dimethoxy-11-nitro-23-(2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol is sourced from PubChem (CID 136884107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).