7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

C44H26Br4N4 — CID 10724510

IUPAC7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESBrC1=C(Br)c2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C(Br)=C1Br
InChIInChI=1S/C44H26Br4N4/c45-37-38(46)42-35(27-17-9-3-10-18-27)31-23-24-32(50-31)36(28-19-11-4-12-20-28)44-40(48)39(47)43(52-44)34(26-15-7-2-8-16-26)30-22-21-29(49-30)33(41(37)51-42)25-13-5-1-6-14-25/h1-24,49-50H/b33-29-,34-30-,35-31-,36-32-,41-33-,42-35-,43-34-,44-36-
InChIKeyGUINDDFMWKVZJA-QLCXEPOMSA-N
MW930.34 g/mol
LogP14.21
Rot. Bonds4

About 7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 10724510) has the molecular formula C44H26Br4N4 and a molecular weight of 930.34 g/mol. Its IUPAC name is 7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
PubChem CID10724510
Molecular FormulaC44H26Br4N4
Molecular Weight930.34 g/mol
Exact Mass925.89
IUPAC Name7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESBrC1=C(Br)c2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C(Br)=C1Br
InChIInChI=1S/C44H26Br4N4/c45-37-38(46)42-35(27-17-9-3-10-18-27)31-23-24-32(50-31)36(28-19-11-4-12-20-28)44-40(48)39(47)43(52-44)34(26-15-7-2-8-16-26)30-22-21-29(49-30)33(41(37)51-42)25-13-5-1-6-14-25/h1-24,49-50H/b33-29-,34-30-,35-31-,36-32-,41-33-,42-35-,43-34-,44-36-
InChIKeyGUINDDFMWKVZJA-QLCXEPOMSA-N
XLogP14.21
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.34
LogP ≤ 514.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The IUPAC name of 7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (CID 10724510) is 7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is BrC1=C(Br)c2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C(Br)=C1Br.
What is the InChIKey of 7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The InChIKey is GUINDDFMWKVZJA-QLCXEPOMSA-N. The full InChI is InChI=1S/C44H26Br4N4/c45-37-38(46)42-35(27-17-9-3-10-18-27)31-23-24-32(50-31)36(28-19-11-4-12-20-28)44-40(48)39(47)43(52-44)34(26-15-7-2-8-16-26)30-22-21-29(49-30)33(41(37)51-42)25-13-5-1-6-14-25/h1-24,49-50H/b33-29-,34-30-,35-31-,36-32-,41-33-,42-35-,43-34-,44-36-.
What are the key properties of 7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 930.34 g/mol, XLogP of 14.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,17,18-tetrabromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 10724510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).