2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin

C80H54N4 — CID 101343804

IUPAC2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1[nH]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4[nH]c(c2-c2ccccc2)c(-c2ccccc2)c4-c2ccccc2)C(c2ccccc2)=C3c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C80H54N4/c1-11-31-53(32-12-1)65-63-51-52-64(81-63)66(54-33-13-2-14-34-54)76-68(56-37-17-4-18-38-56)70(58-41-21-6-22-42-58)78(83-76)74(62-49-29-10-30-50-62)80-72(60-45-25-8-26-46-60)71(59-43-23-7-24-44-59)79(84-80)73(61-47-27-9-28-48-61)77-69(57-39-19-5-20-40-57)67(75(65)82-77)55-35-15-3-16-36-55/h1-52,82-83H/b65-63-,66-64-,75-65-,76-66-,77-73-,78-74-,79-73-,80-74-
InChIKeyNDQQFRKFNFPDLU-HRTOQFAASA-N
MW1071.34 g/mol
LogP20.83
Rot. Bonds10

About 2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin

2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin (PubChem CID 101343804) has the molecular formula C80H54N4 and a molecular weight of 1071.34 g/mol. Its IUPAC name is 2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin
PubChem CID101343804
Molecular FormulaC80H54N4
Molecular Weight1071.34 g/mol
Exact Mass1070.43
IUPAC Name2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1[nH]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4[nH]c(c2-c2ccccc2)c(-c2ccccc2)c4-c2ccccc2)C(c2ccccc2)=C3c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C80H54N4/c1-11-31-53(32-12-1)65-63-51-52-64(81-63)66(54-33-13-2-14-34-54)76-68(56-37-17-4-18-38-56)70(58-41-21-6-22-42-58)78(83-76)74(62-49-29-10-30-50-62)80-72(60-45-25-8-26-46-60)71(59-43-23-7-24-44-59)79(84-80)73(61-47-27-9-28-48-61)77-69(57-39-19-5-20-40-57)67(75(65)82-77)55-35-15-3-16-36-55/h1-52,82-83H/b65-63-,66-64-,75-65-,76-66-,77-73-,78-74-,79-73-,80-74-
InChIKeyNDQQFRKFNFPDLU-HRTOQFAASA-N
XLogP20.83
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.34
LogP ≤ 520.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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CID 102514058
7-nitro-2,3,5,10,12,13,15,20-octakis-phenyl-21,23-dihydroporphyrin
CID 132547396
2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 101014025
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 175010116
5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 101445463
2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 141491360
7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin
CID 136732213
20,21,22,23-tetrafluoro-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,19(24),20,22-tridecaene
CID 135401516
CID 170997510
CID 170997510
CID 175208777
CID 175208777

Frequently Asked Questions

What is the IUPAC name of 2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin?
The IUPAC name of 2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin (CID 101343804) is 2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin?
The canonical SMILES for 2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccccc1)c1[nH]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4[nH]c(c2-c2ccccc2)c(-c2ccccc2)c4-c2ccccc2)C(c2ccccc2)=C3c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin?
The InChIKey is NDQQFRKFNFPDLU-HRTOQFAASA-N. The full InChI is InChI=1S/C80H54N4/c1-11-31-53(32-12-1)65-63-51-52-64(81-63)66(54-33-13-2-14-34-54)76-68(56-37-17-4-18-38-56)70(58-41-21-6-22-42-58)78(83-76)74(62-49-29-10-30-50-62)80-72(60-45-25-8-26-46-60)71(59-43-23-7-24-44-59)79(84-80)73(61-47-27-9-28-48-61)77-69(57-39-19-5-20-40-57)67(75(65)82-77)55-35-15-3-16-36-55/h1-52,82-83H/b65-63-,66-64-,75-65-,76-66-,77-73-,78-74-,79-73-,80-74-.
What are the key properties of 2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin?
2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin has a molecular weight of 1071.34 g/mol, XLogP of 20.83, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 101343804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).