5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin

C42H28N6 — CID 136619214

IUPAC5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin
SMILESC1=Cc2cc3[nH]c(c(-c4ccccc4)c4nc(cc5ccc(cc1n2)[nH]5)C=C4c1ccccc1)c(-c1ccccn1)c3-c1ccccn1
InChIInChI=1S/C42H28N6/c1-3-11-27(12-4-1)34-25-33-24-31-18-17-29(45-31)23-30-19-20-32(46-30)26-37-39(35-15-7-9-21-43-35)40(36-16-8-10-22-44-36)42(48-37)38(41(34)47-33)28-13-5-2-6-14-28/h1-26,45,48H/b29-23-,30-23-,31-24-,32-26-,33-24-,37-26-,41-38-,42-38-
InChIKeyODAHZGKYWDPQAO-KNRPKLNUSA-N
MW616.73 g/mol
LogP9.87
Rot. Bonds4

About 5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin

5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin (PubChem CID 136619214) has the molecular formula C42H28N6 and a molecular weight of 616.73 g/mol. Its IUPAC name is 5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin
PubChem CID136619214
Molecular FormulaC42H28N6
Molecular Weight616.73 g/mol
Exact Mass616.24
IUPAC Name5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin
SMILESC1=Cc2cc3[nH]c(c(-c4ccccc4)c4nc(cc5ccc(cc1n2)[nH]5)C=C4c1ccccc1)c(-c1ccccn1)c3-c1ccccn1
InChIInChI=1S/C42H28N6/c1-3-11-27(12-4-1)34-25-33-24-31-18-17-29(45-31)23-30-19-20-32(46-30)26-37-39(35-15-7-9-21-43-35)40(36-16-8-10-22-44-36)42(48-37)38(41(34)47-33)28-13-5-2-6-14-28/h1-26,45,48H/b29-23-,30-23-,31-24-,32-26-,33-24-,37-26-,41-38-,42-38-
InChIKeyODAHZGKYWDPQAO-KNRPKLNUSA-N
XLogP9.87
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.73
LogP ≤ 59.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin
CID 173010365
3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+)
CID 137217001
cobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine
CID 174888038
(3,5,7,8-tetraphenyl-22,24-dihydroporphyrin-2-yl) hydrogen sulfite
CID 137225556
1-(3,5,7,21-tetraphenyl-23H-porphyrin-2-yl)ethanone
CID 137225760
CID 157119570
CID 157119570
8-bromo-10,12,13,23-tetraphenyl-21H-porphyrin
CID 174692197
(3,5,7,21-tetraphenyl-23H-porphyrin-2-yl) prop-2-enoate
CID 154636881
7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium
CID 175047395
4-(22,24-dihydroporphyrin-2-yl)aniline;manganese
CID 175481271
(17,18,20,24-tetraphenyl-22H-porphyrin-2-yl)-λ2-stannane
CID 175455906
21,23-dihydroporphyrin;trihydrochloride
CID 172691359

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin?
The IUPAC name of 5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin (CID 136619214) is 5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin.
What is the SMILES notation for 5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin?
The canonical SMILES for 5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin is C1=Cc2cc3[nH]c(c(-c4ccccc4)c4nc(cc5ccc(cc1n2)[nH]5)C=C4c1ccccc1)c(-c1ccccn1)c3-c1ccccn1.
What is the InChIKey of 5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin?
The InChIKey is ODAHZGKYWDPQAO-KNRPKLNUSA-N. The full InChI is InChI=1S/C42H28N6/c1-3-11-27(12-4-1)34-25-33-24-31-18-17-29(45-31)23-30-19-20-32(46-30)26-37-39(35-15-7-9-21-43-35)40(36-16-8-10-22-44-36)42(48-37)38(41(34)47-33)28-13-5-2-6-14-28/h1-26,45,48H/b29-23-,30-23-,31-24-,32-26-,33-24-,37-26-,41-38-,42-38-.
What are the key properties of 5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin?
5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin has a molecular weight of 616.73 g/mol, XLogP of 9.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 136619214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).