15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin

C39H26Cl2N4 — CID 175511184

IUPAC15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin
SMILESCc1c(-c2ccccc2)c2[nH]c1c(Cl)c1nc(c(Cl)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C39H26Cl2N4/c1-23-33(24-11-5-2-6-12-24)39-35(26-15-9-4-10-16-26)29-18-17-27(42-29)34(25-13-7-3-8-14-25)28-19-20-30(43-28)36(40)31-21-22-32(44-31)37(41)38(23)45-39/h2-22,43,45H,1H3/b34-27-,34-28-,35-29-,36-30+,36-31+,37-32+,38-37+,39-35-
InChIKeyATIJYMBCNNCKBQ-ZZROIIEVSA-N
MW621.57 g/mol
LogP11.27
Rot. Bonds3

About 15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin

15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin (PubChem CID 175511184) has the molecular formula C39H26Cl2N4 and a molecular weight of 621.57 g/mol. Its IUPAC name is 15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin
PubChem CID175511184
Molecular FormulaC39H26Cl2N4
Molecular Weight621.57 g/mol
Exact Mass620.15
IUPAC Name15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin
SMILESCc1c(-c2ccccc2)c2[nH]c1c(Cl)c1nc(c(Cl)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C39H26Cl2N4/c1-23-33(24-11-5-2-6-12-24)39-35(26-15-9-4-10-16-26)29-18-17-27(42-29)34(25-13-7-3-8-14-25)28-19-20-30(43-28)36(40)31-21-22-32(44-31)37(41)38(23)45-39/h2-22,43,45H,1H3/b34-27-,34-28-,35-29-,36-30+,36-31+,37-32+,38-37+,39-35-
InChIKeyATIJYMBCNNCKBQ-ZZROIIEVSA-N
XLogP11.27
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.57
LogP ≤ 511.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 141491360
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 10031928
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
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
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
36-chloro-13,18-diphenyl-33,38,39,40-tetrazadecacyclo[28.5.2.19,12.114,17.119,22.02,7.08,34.023,32.024,29.031,35]tetraconta-1(36),2,4,6,8,10,12(40),13,15,17,19(38),20,22,24,26,28,30(37),31,34-nonadecaene
CID 136702569
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
3,5-bis[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,2,4-triazol-4-amine
CID 101236444
12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene
CID 176570038
CID 169095894
CID 169095894

Frequently Asked Questions

What is the IUPAC name of 15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin?
The IUPAC name of 15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin (CID 175511184) is 15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin is Cc1c(-c2ccccc2)c2[nH]c1c(Cl)c1nc(c(Cl)c3ccc([nH]3)c(-c3ccccc3)c3nc(c2-c2ccccc2)C=C3)C=C1.
What is the InChIKey of 15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin?
The InChIKey is ATIJYMBCNNCKBQ-ZZROIIEVSA-N. The full InChI is InChI=1S/C39H26Cl2N4/c1-23-33(24-11-5-2-6-12-24)39-35(26-15-9-4-10-16-26)29-18-17-27(42-29)34(25-13-7-3-8-14-25)28-19-20-30(43-28)36(40)31-21-22-32(44-31)37(41)38(23)45-39/h2-22,43,45H,1H3/b34-27-,34-28-,35-29-,36-30+,36-31+,37-32+,38-37+,39-35-.
What are the key properties of 15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin?
15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin has a molecular weight of 621.57 g/mol, XLogP of 11.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 175511184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).