5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide

C148H198N12O8 — CID 177406871

IUPAC5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2CC3CCC2(C)C3(C)C)c(-c2c3nc(c(-c4c(C(=O)NC5CC6CCC5(C)C6(C)C)cc(C(C)(C)C)cc4C(=O)NC4CC5CCC4(C)C5(C)C)c4ccc([nH]4)c(-c4c(C(=O)NC5CC6CCC5(C)C6(C)C)cc(C(C)(C)C)cc4C(=O)NC4CC5CCC4(C)C5(C)C)c4nc(c(-c5c(C(=O)NC6CC7CCC6(C)C7(C)C)cc(C(C)(C)C)cc5C(=O)NC5CC6CCC5(C)C6(C)C)c5ccc2[nH]5)C=C4)C=C3)c(C(=O)NC2CC3CCC2(C)C3(C)C)c1
InChIInChI=1S/C148H198N12O8/c1-129(2,3)85-61-89(121(161)153-105-69-77-45-53-141(105,29)133(77,13)14)113(90(62-85)122(162)154-106-70-78-46-54-142(106,30)134(78,15)16)117-97-37-39-99(149-97)118(114-91(123(163)155-107-71-79-47-55-143(107,31)135(79,17)18)63-86(130(4,5)6)64-92(114)124(164)156-108-72-80-48-56-144(108,32)136(80,19)20)101-41-43-103(151-101)120(116-95(127(167)159-111-75-83-51-59-147(111,35)139(83,25)26)67-88(132(10,11)12)68-96(116)128(168)160-112-76-84-52-60-148(112,36)140(84,27)28)104-44-42-102(152-104)119(100-40-38-98(117)150-100)115-93(125(165)157-109-73-81-49-57-145(109,33)137(81,21)22)65-87(131(7,8)9)66-94(115)126(166)158-110-74-82-50-58-146(110,34)138(82,23)24/h37-44,61-68,77-84,105-112,149,152H,45-60,69-76H2,1-36H3,(H,153,161)(H,154,162)(H,155,163)(H,156,164)(H,157,165)(H,158,166)(H,159,167)(H,160,168)/b117-97+,117-98+,118-99+,118-101+,119-100+,119-102+,120-103+,120-104+
InChIKeyOKGHEOYQAUSAAT-VZJANDSZSA-N
MW2273.29 g/mol
LogP32.07
Rot. Bonds20

About 5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide

5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide (PubChem CID 177406871) has the molecular formula C148H198N12O8 and a molecular weight of 2273.29 g/mol. Its IUPAC name is 5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide
PubChem CID177406871
Molecular FormulaC148H198N12O8
Molecular Weight2273.29 g/mol
Exact Mass2271.55
IUPAC Name5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2CC3CCC2(C)C3(C)C)c(-c2c3nc(c(-c4c(C(=O)NC5CC6CCC5(C)C6(C)C)cc(C(C)(C)C)cc4C(=O)NC4CC5CCC4(C)C5(C)C)c4ccc([nH]4)c(-c4c(C(=O)NC5CC6CCC5(C)C6(C)C)cc(C(C)(C)C)cc4C(=O)NC4CC5CCC4(C)C5(C)C)c4nc(c(-c5c(C(=O)NC6CC7CCC6(C)C7(C)C)cc(C(C)(C)C)cc5C(=O)NC5CC6CCC5(C)C6(C)C)c5ccc2[nH]5)C=C4)C=C3)c(C(=O)NC2CC3CCC2(C)C3(C)C)c1
InChIInChI=1S/C148H198N12O8/c1-129(2,3)85-61-89(121(161)153-105-69-77-45-53-141(105,29)133(77,13)14)113(90(62-85)122(162)154-106-70-78-46-54-142(106,30)134(78,15)16)117-97-37-39-99(149-97)118(114-91(123(163)155-107-71-79-47-55-143(107,31)135(79,17)18)63-86(130(4,5)6)64-92(114)124(164)156-108-72-80-48-56-144(108,32)136(80,19)20)101-41-43-103(151-101)120(116-95(127(167)159-111-75-83-51-59-147(111,35)139(83,25)26)67-88(132(10,11)12)68-96(116)128(168)160-112-76-84-52-60-148(112,36)140(84,27)28)104-44-42-102(152-104)119(100-40-38-98(117)150-100)115-93(125(165)157-109-73-81-49-57-145(109,33)137(81,21)22)65-87(131(7,8)9)66-94(115)126(166)158-110-74-82-50-58-146(110,34)138(82,23)24/h37-44,61-68,77-84,105-112,149,152H,45-60,69-76H2,1-36H3,(H,153,161)(H,154,162)(H,155,163)(H,156,164)(H,157,165)(H,158,166)(H,159,167)(H,160,168)/b117-97+,117-98+,118-99+,118-101+,119-100+,119-102+,120-103+,120-104+
InChIKeyOKGHEOYQAUSAAT-VZJANDSZSA-N
XLogP32.07
TPSA290.16 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002273.29
LogP ≤ 532.07
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze 5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide?
The IUPAC name of 5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide (CID 177406871) is 5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide is CC(C)(C)c1cc(C(=O)NC2CC3CCC2(C)C3(C)C)c(-c2c3nc(c(-c4c(C(=O)NC5CC6CCC5(C)C6(C)C)cc(C(C)(C)C)cc4C(=O)NC4CC5CCC4(C)C5(C)C)c4ccc([nH]4)c(-c4c(C(=O)NC5CC6CCC5(C)C6(C)C)cc(C(C)(C)C)cc4C(=O)NC4CC5CCC4(C)C5(C)C)c4nc(c(-c5c(C(=O)NC6CC7CCC6(C)C7(C)C)cc(C(C)(C)C)cc5C(=O)NC5CC6CCC5(C)C6(C)C)c5ccc2[nH]5)C=C4)C=C3)c(C(=O)NC2CC3CCC2(C)C3(C)C)c1.
What is the InChIKey of 5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide?
The InChIKey is OKGHEOYQAUSAAT-VZJANDSZSA-N. The full InChI is InChI=1S/C148H198N12O8/c1-129(2,3)85-61-89(121(161)153-105-69-77-45-53-141(105,29)133(77,13)14)113(90(62-85)122(162)154-106-70-78-46-54-142(106,30)134(78,15)16)117-97-37-39-99(149-97)118(114-91(123(163)155-107-71-79-47-55-143(107,31)135(79,17)18)63-86(130(4,5)6)64-92(114)124(164)156-108-72-80-48-56-144(108,32)136(80,19)20)101-41-43-103(151-101)120(116-95(127(167)159-111-75-83-51-59-147(111,35)139(83,25)26)67-88(132(10,11)12)68-96(116)128(168)160-112-76-84-52-60-148(112,36)140(84,27)28)104-44-42-102(152-104)119(100-40-38-98(117)150-100)115-93(125(165)157-109-73-81-49-57-145(109,33)137(81,21)22)65-87(131(7,8)9)66-94(115)126(166)158-110-74-82-50-58-146(110,34)138(82,23)24/h37-44,61-68,77-84,105-112,149,152H,45-60,69-76H2,1-36H3,(H,153,161)(H,154,162)(H,155,163)(H,156,164)(H,157,165)(H,158,166)(H,159,167)(H,160,168)/b117-97+,117-98+,118-99+,118-101+,119-100+,119-102+,120-103+,120-104+.
What are the key properties of 5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide?
5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide has a molecular weight of 2273.29 g/mol, XLogP of 32.07, 20 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-N,3-N-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[10,15,20-tris[4-tert-butyl-2,6-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 177406871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).