17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene

C82H72N4 — CID 102225810

IUPAC17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene
SMILESCc1cc(C)c(C2=c3ccc(cc3)=C(c3c(C)cc(C)cc3C)c3ccc([nH]3)C(c3c(C)cc(C)cc3C)=c3ccc(cc3)=C(c3c(C)cc(C)cc3C)C3=N/C(=C(/c4ccccc4)c4ccc([nH]4)/C(c4ccccc4)=C4/C=CC2=N4)C=C3)c(C)c1
InChIInChI=1S/C82H72N4/c1-47-39-51(5)73(52(6)40-47)79-61-23-27-63(28-24-61)81(75-55(9)43-49(3)44-56(75)10)71-37-38-72(86-71)82(76-57(11)45-50(4)46-58(76)12)64-29-25-62(26-30-64)80(74-53(7)41-48(2)42-54(74)8)70-36-34-68(85-70)78(60-21-17-14-18-22-60)66-32-31-65(83-66)77(59-19-15-13-16-20-59)67-33-35-69(79)84-67/h13-46,83,86H,1-12H3/b77-65-,77-67+,78-66-,78-68+,79-61-,79-69-,80-62-,80-70-,81-63-,81-71-,82-64-,82-72-
InChIKeyVDIMOWCTGQGFQV-PXWCJLQTSA-N
MW1113.51 g/mol
LogP16.19
Rot. Bonds6

About 17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene

17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene (PubChem CID 102225810) has the molecular formula C82H72N4 and a molecular weight of 1113.51 g/mol. Its IUPAC name is 17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene.

Molecular Properties

Compound Name17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene
PubChem CID102225810
Molecular FormulaC82H72N4
Molecular Weight1113.51 g/mol
Exact Mass1112.58
IUPAC Name17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene
SMILESCc1cc(C)c(C2=c3ccc(cc3)=C(c3c(C)cc(C)cc3C)c3ccc([nH]3)C(c3c(C)cc(C)cc3C)=c3ccc(cc3)=C(c3c(C)cc(C)cc3C)C3=N/C(=C(/c4ccccc4)c4ccc([nH]4)/C(c4ccccc4)=C4/C=CC2=N4)C=C3)c(C)c1
InChIInChI=1S/C82H72N4/c1-47-39-51(5)73(52(6)40-47)79-61-23-27-63(28-24-61)81(75-55(9)43-49(3)44-56(75)10)71-37-38-72(86-71)82(76-57(11)45-50(4)46-58(76)12)64-29-25-62(26-30-64)80(74-53(7)41-48(2)42-54(74)8)70-36-34-68(85-70)78(60-21-17-14-18-22-60)66-32-31-65(83-66)77(59-19-15-13-16-20-59)67-33-35-69(79)84-67/h13-46,83,86H,1-12H3/b77-65-,77-67+,78-66-,78-68+,79-61-,79-69-,80-62-,80-70-,81-63-,81-71-,82-64-,82-72-
InChIKeyVDIMOWCTGQGFQV-PXWCJLQTSA-N
XLogP16.19
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001113.51
LogP ≤ 516.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene with MolForge

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Related Compounds

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(5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin
CID 136832644
methyl 4-[15-[4-[hydroxy(methoxy)methylidene]cyclohexa-2,5-dien-1-ylidene]-10,20-bis(2,4,6-trimethylphenyl)-23H-porphyrin-5-yl]benzoate
CID 135756275
10-[4-[5,15-bis(2,4,6-trimethylphenyl)-21,24-dihydrocorrin-10-ylidene]buta-1,2,3-trienylidene]-5,15-bis(2,4,6-trimethylphenyl)-21,24-dihydrocorrin
CID 132511166
4-(10,15,20-triphenyl-23,24-dihydro-21H-porphyrin-5-ylidene)cyclohexa-2,5-dien-1-one
CID 51353535
12,27-bis(2,4,6-trimethylphenyl)-31,32,33,34-tetrazaheptacyclo[26.2.1.18,11.113,16.123,26.02,7.017,22]tetratriaconta-1,3,5,7,9,11,13(33),14,16,18,20,22,24,26,28(31),29-hexadecaene
CID 137274510
2,7,12,22,27,32-hexakis(2,3,4,5,6-pentafluorophenyl)-17,37-diphenyl-41,42,43,44,45,46,47,48-octazanonacyclo[36.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36]octatetraconta-1,3,5,7,9,11(47),12,14,16,18(45),19,21,23,25,27,29,31(43),32,34,36,38(41),39-docosaene
CID 139256846
2,12,22-tris(4-methylphenyl)-7,17,27-tris(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8,10,12,14,16(34),17,19,21,23,25,27,29-hexadecaene
CID 132503776
4-[15,20-bis(4-carboxyphenyl)-10-[4-(dihydroxymethylidene)cyclohexa-2,5-dien-1-ylidene]-23H-porphyrin-5-yl]benzoic acid
CID 135764910
(10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin
CID 10919474
(2Z,6Z,11Z,17E)-21-ethyl-2,7,12,17-tetraphenyl-23,24,25-triazapentacyclo[16.2.2.13,6.18,11.113,16]pentacosa-1(21),2,4,6,8(24),9,11,13,15,17,19-undecaene;molecular hydrogen
CID 142967395
(5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin
CID 136806099

Frequently Asked Questions

What is the IUPAC name of 17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene?
The IUPAC name of 17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene (CID 102225810) is 17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene.
What is the SMILES notation for 17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene?
The canonical SMILES for 17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene is Cc1cc(C)c(C2=c3ccc(cc3)=C(c3c(C)cc(C)cc3C)c3ccc([nH]3)C(c3c(C)cc(C)cc3C)=c3ccc(cc3)=C(c3c(C)cc(C)cc3C)C3=N/C(=C(/c4ccccc4)c4ccc([nH]4)/C(c4ccccc4)=C4/C=CC2=N4)C=C3)c(C)c1.
What is the InChIKey of 17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene?
The InChIKey is VDIMOWCTGQGFQV-PXWCJLQTSA-N. The full InChI is InChI=1S/C82H72N4/c1-47-39-51(5)73(52(6)40-47)79-61-23-27-63(28-24-61)81(75-55(9)43-49(3)44-56(75)10)71-37-38-72(86-71)82(76-57(11)45-50(4)46-58(76)12)64-29-25-62(26-30-64)80(74-53(7)41-48(2)42-54(74)8)70-36-34-68(85-70)78(60-21-17-14-18-22-60)66-32-31-65(83-66)77(59-19-15-13-16-20-59)67-33-35-69(79)84-67/h13-46,83,86H,1-12H3/b77-65-,77-67+,78-66-,78-68+,79-61-,79-69-,80-62-,80-70-,81-63-,81-71-,82-64-,82-72-.
What are the key properties of 17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene?
17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene has a molecular weight of 1113.51 g/mol, XLogP of 16.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene is sourced from PubChem (CID 102225810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).