5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin

C46H35N5 — CID 11527545

IUPAC5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin
SMILESC=Cc1ccc(-c2c3ccc([nH]3)c(-c3ccc(C)cc3)c3nc(c(-c4ccc[nH]4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C46H35N5/c1-4-30-11-17-33(18-12-30)45-37-21-19-35(48-37)43(31-13-7-28(2)8-14-31)39-23-25-41(50-39)46(34-6-5-27-47-34)42-26-24-40(51-42)44(36-20-22-38(45)49-36)32-15-9-29(3)10-16-32/h4-27,47-49H,1H2,2-3H3/b43-35-,43-39-,44-36-,44-40-,45-37-,45-38-,46-41-,46-42-
InChIKeySSHULPPHOKBPKE-DJGOHHOHSA-N
MW657.82 g/mol
LogP11.91
Rot. Bonds5

About 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin

5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin (PubChem CID 11527545) has the molecular formula C46H35N5 and a molecular weight of 657.82 g/mol. Its IUPAC name is 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin
PubChem CID11527545
Molecular FormulaC46H35N5
Molecular Weight657.82 g/mol
Exact Mass657.29
IUPAC Name5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin
SMILESC=Cc1ccc(-c2c3ccc([nH]3)c(-c3ccc(C)cc3)c3nc(c(-c4ccc[nH]4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C46H35N5/c1-4-30-11-17-33(18-12-30)45-37-21-19-35(48-37)43(31-13-7-28(2)8-14-31)39-23-25-41(50-39)46(34-6-5-27-47-34)42-26-24-40(51-42)44(36-20-22-38(45)49-36)32-15-9-29(3)10-16-32/h4-27,47-49H,1H2,2-3H3/b43-35-,43-39-,44-36-,44-40-,45-37-,45-38-,46-41-,46-42-
InChIKeySSHULPPHOKBPKE-DJGOHHOHSA-N
XLogP11.91
TPSA73.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.82
LogP ≤ 511.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin
CID 135467968
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
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
6-(4-bromophenyl)-16-(4-methylphenyl)-11-(1H-pyrrol-2-yl)-21-oxa-20,22,23-triazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1,3,5,7,9,11,13,15,17(20),18-decaene
CID 136845890
1-(4-methylphenyl)-N-[4-[10,15,20-tris[4-[(4-methylphenyl)methylideneamino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanimine
CID 174359853
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 101169394
palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
5,10,15-tris(4-methylphenyl)-20-(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
CID 135453156
5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 135590703
23-methyl-5,10,15,20-tetrakis(4-methylphenyl)-21H-porphyrin
CID 11125302
5,15-bis(3,5-ditert-butylphenyl)-10,20-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 136773315

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin?
The IUPAC name of 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin (CID 11527545) is 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin.
What is the SMILES notation for 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin?
The canonical SMILES for 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin is C=Cc1ccc(-c2c3ccc([nH]3)c(-c3ccc(C)cc3)c3nc(c(-c4ccc[nH]4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin?
The InChIKey is SSHULPPHOKBPKE-DJGOHHOHSA-N. The full InChI is InChI=1S/C46H35N5/c1-4-30-11-17-33(18-12-30)45-37-21-19-35(48-37)43(31-13-7-28(2)8-14-31)39-23-25-41(50-39)46(34-6-5-27-47-34)42-26-24-40(51-42)44(36-20-22-38(45)49-36)32-15-9-29(3)10-16-32/h4-27,47-49H,1H2,2-3H3/b43-35-,43-39-,44-36-,44-40-,45-37-,45-38-,46-41-,46-42-.
What are the key properties of 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin?
5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin has a molecular weight of 657.82 g/mol, XLogP of 11.91, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin is sourced from PubChem (CID 11527545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).