2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin

C80H70N4 — CID 101014025

IUPAC2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
SMILESCc1cc(C)c(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4[nH]c(c(-c5c(C)cc(C)cc5C)c5nc(c(-c6c(C)cc(C)cc6C)c6[nH]c2c(-c2ccccc2)c6-c2ccccc2)C=C5)c(-c2ccccc2)c4-c2ccccc2)C=C3)c(C)c1
InChIInChI=1S/C80H70N4/c1-45-37-49(5)65(50(6)38-45)73-61-33-34-62(81-61)74(66-51(7)39-46(2)40-52(66)8)79-71(59-29-21-15-22-30-59)72(60-31-23-16-24-32-60)80(84-79)76(68-55(11)43-48(4)44-56(68)12)64-36-35-63(82-64)75(67-53(9)41-47(3)42-54(67)10)78-70(58-27-19-14-20-28-58)69(77(73)83-78)57-25-17-13-18-26-57/h13-44,83-84H,1-12H3/b73-61-,74-62-,75-63-,76-64-,77-73+,78-75+,79-74+,80-76+
InChIKeyDZEMCSJLZGSRGF-RPHJPDNGSA-N
MW1087.47 g/mol
LogP21.69
Rot. Bonds8

About 2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin

2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin (PubChem CID 101014025) has the molecular formula C80H70N4 and a molecular weight of 1087.47 g/mol. Its IUPAC name is 2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
PubChem CID101014025
Molecular FormulaC80H70N4
Molecular Weight1087.47 g/mol
Exact Mass1086.56
IUPAC Name2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
SMILESCc1cc(C)c(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4[nH]c(c(-c5c(C)cc(C)cc5C)c5nc(c(-c6c(C)cc(C)cc6C)c6[nH]c2c(-c2ccccc2)c6-c2ccccc2)C=C5)c(-c2ccccc2)c4-c2ccccc2)C=C3)c(C)c1
InChIInChI=1S/C80H70N4/c1-45-37-49(5)65(50(6)38-45)73-61-33-34-62(81-61)74(66-51(7)39-46(2)40-52(66)8)79-71(59-29-21-15-22-30-59)72(60-31-23-16-24-32-60)80(84-79)76(68-55(11)43-48(4)44-56(68)12)64-36-35-63(82-64)75(67-53(9)41-47(3)42-54(67)10)78-70(58-27-19-14-20-28-58)69(77(73)83-78)57-25-17-13-18-26-57/h13-44,83-84H,1-12H3/b73-61-,74-62-,75-63-,76-64-,77-73+,78-75+,79-74+,80-76+
InChIKeyDZEMCSJLZGSRGF-RPHJPDNGSA-N
XLogP21.69
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001087.47
LogP ≤ 521.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin with MolForge

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Related Compounds

11,12-diphenyl-6,17-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrazapentacyclo[16.2.1.12,5.17,10.113,16]tetracosa-1,3,5,7(23),8,10,12,14,16,18(21),19-undecaene
CID 177402176
5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 135490543
10,25-diphenyl-15,20-bis(2,4,6-trimethylphenyl)-29,33,34-trithia-31-selena-30,32-diazaheptacyclo[24.2.1.12,5.16,9.111,14.116,19.121,24]tetratriaconta-1,3,5,7,9,11(32),12,14,16,18,20,22,24(30),25,27-pentadecaene
CID 23643637
2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin
CID 101343804
2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 10031928
19,24,29,34-tetrakis(2,4,6-trimethylphenyl)-3,16,35,36,37,38,39,40-octazanonacyclo[16.16.1.15,9.110,14.120,23.125,28.130,33.02,17.04,15]tetraconta-1,3,5,7,9(40),10(39),11,13,15,17,19,21,23(38),24,26,28,30(36),31,33-nonadecaene
CID 137125356
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
7,8,17,18-tetramethyl-2,3,5,10,12,13,15,20-octakis-phenyl-21,23-dihydroporphyrin
CID 102514058
3-[5,15-bis(2,4,6-trimethylphenyl)-22,24-dihydro-21H-corrin-10-yl]phenol
CID 11814204
5-[4-(2-pyridin-4-ylethynyl)phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 137254083
10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 11050991
5-bromo-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 135545252

Frequently Asked Questions

What is the IUPAC name of 2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin (CID 101014025) is 2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin is Cc1cc(C)c(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4[nH]c(c(-c5c(C)cc(C)cc5C)c5nc(c(-c6c(C)cc(C)cc6C)c6[nH]c2c(-c2ccccc2)c6-c2ccccc2)C=C5)c(-c2ccccc2)c4-c2ccccc2)C=C3)c(C)c1.
What is the InChIKey of 2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin?
The InChIKey is DZEMCSJLZGSRGF-RPHJPDNGSA-N. The full InChI is InChI=1S/C80H70N4/c1-45-37-49(5)65(50(6)38-45)73-61-33-34-62(81-61)74(66-51(7)39-46(2)40-52(66)8)79-71(59-29-21-15-22-30-59)72(60-31-23-16-24-32-60)80(84-79)76(68-55(11)43-48(4)44-56(68)12)64-36-35-63(82-64)75(67-53(9)41-47(3)42-54(67)10)78-70(58-27-19-14-20-28-58)69(77(73)83-78)57-25-17-13-18-26-57/h13-44,83-84H,1-12H3/b73-61-,74-62-,75-63-,76-64-,77-73+,78-75+,79-74+,80-76+.
What are the key properties of 2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin?
2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin has a molecular weight of 1087.47 g/mol, XLogP of 21.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 101014025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).