10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin

C64H43BrN8 — CID 173159582

IUPAC10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
SMILESBrc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2.C1=Cc2nc1cc1nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c2-c2ccccc2)[nH]3)C=C1
InChIInChI=1S/C32H21BrN4.C32H22N4/c33-32-28-17-15-26(36-28)30(20-7-3-1-4-8-20)24-13-11-22(34-24)19-23-12-14-25(35-23)31(21-9-5-2-6-10-21)27-16-18-29(32)37-27;1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-19,34,37H;1-20,33,35H/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+;23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-
InChIKeyHQBPLAUFTHMFKU-FGGOJEOSSA-N
MW1004.01 g/mol
LogP16.74
Rot. Bonds4

About 10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin

10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin (PubChem CID 173159582) has the molecular formula C64H43BrN8 and a molecular weight of 1004.01 g/mol. Its IUPAC name is 10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
PubChem CID173159582
Molecular FormulaC64H43BrN8
Molecular Weight1004.01 g/mol
Exact Mass1002.28
IUPAC Name10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
SMILESBrc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2.C1=Cc2nc1cc1nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c2-c2ccccc2)[nH]3)C=C1
InChIInChI=1S/C32H21BrN4.C32H22N4/c33-32-28-17-15-26(36-28)30(20-7-3-1-4-8-20)24-13-11-22(34-24)19-23-12-14-25(35-23)31(21-9-5-2-6-10-21)27-16-18-29(32)37-27;1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-19,34,37H;1-20,33,35H/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+;23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-
InChIKeyHQBPLAUFTHMFKU-FGGOJEOSSA-N
XLogP16.74
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.01
LogP ≤ 516.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
10,20-diphenyl-21,23-dihydroporphyrin-5-amine
CID 136859118
10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
CID 135415239
2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
CID 141332730
5,20-bis[2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl]-10,15-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 56653500
2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane
CID 173327875
5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
CID 136749947
10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin
CID 135513055
5-[10,20-bis(2-phenylethynyl)-21,23-dihydroporphyrin-5-yl]-10,20-bis(2-phenylethynyl)-15-[4-[10,15,20-tris(2-phenylethynyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102356047
(2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol
CID 102292008

Frequently Asked Questions

What is the IUPAC name of 10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin?
The IUPAC name of 10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin (CID 173159582) is 10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin.
What is the SMILES notation for 10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin?
The canonical SMILES for 10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin is Brc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2.C1=Cc2nc1cc1nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c2-c2ccccc2)[nH]3)C=C1.
What is the InChIKey of 10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin?
The InChIKey is HQBPLAUFTHMFKU-FGGOJEOSSA-N. The full InChI is InChI=1S/C32H21BrN4.C32H22N4/c33-32-28-17-15-26(36-28)30(20-7-3-1-4-8-20)24-13-11-22(34-24)19-23-12-14-25(35-23)31(21-9-5-2-6-10-21)27-16-18-29(32)37-27;1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-19,34,37H;1-20,33,35H/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+;23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-.
What are the key properties of 10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin?
10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin has a molecular weight of 1004.01 g/mol, XLogP of 16.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 173159582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).