bis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene

C40H30N10 — CID 135973971

IUPACbis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene
SMILESC1=c2ccc([nH]2)=Cc2ccc([nH]2)C(/N=N/C2=c3ccc([nH]3)=Cc3ccc([nH]3)C=c3ccc([nH]3)=Cc3ccc2[nH]3)=c2ccc([nH]2)=Cc2ccc1[nH]2
InChIInChI=1S/C40H30N10/c1-5-27-19-31-9-13-35(45-31)39(36-14-10-32(46-36)20-28-6-2-24(42-28)17-23(1)41-27)49-50-40-37-15-11-33(47-37)21-29-7-3-25(43-29)18-26-4-8-30(44-26)22-34-12-16-38(40)48-34/h1-22,41-48H/b23-17?,24-17?,25-18?,26-18?,27-19?,28-20?,29-21?,30-22?,31-19?,32-20?,33-21?,34-22?,39-35?,39-36?,40-37?,40-38?,50-49+
InChIKeyMHVYEZLARYAJAH-IDJKVANGSA-N
MW650.75 g/mol
LogP1.38
Rot. Bonds2

About bis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene

bis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene (PubChem CID 135973971) has the molecular formula C40H30N10 and a molecular weight of 650.75 g/mol. Its IUPAC name is bis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene.

Molecular Properties

Compound Namebis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene
PubChem CID135973971
Molecular FormulaC40H30N10
Molecular Weight650.75 g/mol
Exact Mass650.27
IUPAC Namebis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene
SMILESC1=c2ccc([nH]2)=Cc2ccc([nH]2)C(/N=N/C2=c3ccc([nH]3)=Cc3ccc([nH]3)C=c3ccc([nH]3)=Cc3ccc2[nH]3)=c2ccc([nH]2)=Cc2ccc1[nH]2
InChIInChI=1S/C40H30N10/c1-5-27-19-31-9-13-35(45-31)39(36-14-10-32(46-36)20-28-6-2-24(42-28)17-23(1)41-27)49-50-40-37-15-11-33(47-37)21-29-7-3-25(43-29)18-26-4-8-30(44-26)22-34-12-16-38(40)48-34/h1-22,41-48H/b23-17?,24-17?,25-18?,26-18?,27-19?,28-20?,29-21?,30-22?,31-19?,32-20?,33-21?,34-22?,39-35?,39-36?,40-37?,40-38?,50-49+
InChIKeyMHVYEZLARYAJAH-IDJKVANGSA-N
XLogP1.38
TPSA151.04 Ų
H-Bond Donors8
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.75
LogP ≤ 51.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

Porphyrin
CID 66868
21,22,23,24-Tetraazapentacyclo(16.2.1.1(2,5).1(8,11).1(12,15))tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene, 4,9,14,19-tetrapropyl-
CID 130573
Phlorin
CID 20055371
Chlorin
CID 65106
Porphyrinogen
CID 9548659
21H,22H-Porphine
CID 137705241
Porphycene
CID 127650
Copper porphyrin
CID 57423943
Corrole
CID 6857582
Bacteriochlorin
CID 9548778
(6Z,11Z,15Z,20Z)-25,26,27,28,29-pentaazahexacyclo[20.2.1.1(2,5).1(7,10).1(12,15).1(17,20)]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene
CID 11966286
Isobacteriochlorin
CID 18725796

Frequently Asked Questions

What is the IUPAC name of bis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene?
The IUPAC name of bis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene (CID 135973971) is bis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene.
What is the SMILES notation for bis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene?
The canonical SMILES for bis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene is C1=c2ccc([nH]2)=Cc2ccc([nH]2)C(/N=N/C2=c3ccc([nH]3)=Cc3ccc([nH]3)C=c3ccc([nH]3)=Cc3ccc2[nH]3)=c2ccc([nH]2)=Cc2ccc1[nH]2.
What is the InChIKey of bis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene?
The InChIKey is MHVYEZLARYAJAH-IDJKVANGSA-N. The full InChI is InChI=1S/C40H30N10/c1-5-27-19-31-9-13-35(45-31)39(36-14-10-32(46-36)20-28-6-2-24(42-28)17-23(1)41-27)49-50-40-37-15-11-33(47-37)21-29-7-3-25(43-29)18-26-4-8-30(44-26)22-34-12-16-38(40)48-34/h1-22,41-48H/b23-17?,24-17?,25-18?,26-18?,27-19?,28-20?,29-21?,30-22?,31-19?,32-20?,33-21?,34-22?,39-35?,39-36?,40-37?,40-38?,50-49+.
What are the key properties of bis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene?
bis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene has a molecular weight of 650.75 g/mol, XLogP of 1.38, 2 rotatable bonds, 8 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(21,22,23,24-tetrahydroporphyrin-5-yl)diazene is sourced from PubChem (CID 135973971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).