2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

C125H96N12O — CID 44519396

IUPAC2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESCCCCCCc1c2nc(c(-c3cc4[nH]c3c(-c3ccccc3)c3nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c4-c4ccccc4)C=C5)C=C3)c3ccc([nH]3)c(-c3ccc(OC)cc3)c3nc(c(-c4cc5[nH]c4c(-c4ccc(C)cc4)c4nc(c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6nc(c5-c5ccc(C)cc5)C=C6)C=C4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C125H96N12O/c1-7-8-9-22-31-88-91-52-54-107(126-91)122(89-72-111-118(80-27-18-12-19-28-80)103-62-60-95(130-103)113(78-23-14-10-15-24-78)93-56-57-94(128-93)114(79-25-16-11-17-26-79)96-64-68-105(132-96)120(124(89)136-111)81-29-20-13-21-30-81)109-70-66-101(134-109)117(85-48-50-87(138-6)51-49-85)102-67-71-110(135-102)123(108-55-53-92(88)127-108)90-73-112-119(84-44-36-76(4)37-45-84)104-63-61-99(131-104)115(82-40-32-74(2)33-41-82)97-58-59-98(129-97)116(83-42-34-75(3)35-43-83)100-65-69-106(133-100)121(125(90)137-112)86-46-38-77(5)39-47-86/h10-21,23-30,32-73,127-129,134,136-137H,7-9,22,31H2,1-6H3/b91-88-,92-88-,113-93-,113-95-,114-94-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-111-,119-104-,119-112-,120-105-,121-106-,122-107-,122-109-,123-108-,123-110-,124-120-,125-121-
InChIKeyGBPRYYKCVWYHOR-LHIGFVBYSA-N
MW1782.23 g/mol
LogP32.30
Rot. Bonds17

About 2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 44519396) has the molecular formula C125H96N12O and a molecular weight of 1782.23 g/mol. Its IUPAC name is 2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
PubChem CID44519396
Molecular FormulaC125H96N12O
Molecular Weight1782.23 g/mol
Exact Mass1780.78
IUPAC Name2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESCCCCCCc1c2nc(c(-c3cc4[nH]c3c(-c3ccccc3)c3nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c4-c4ccccc4)C=C5)C=C3)c3ccc([nH]3)c(-c3ccc(OC)cc3)c3nc(c(-c4cc5[nH]c4c(-c4ccc(C)cc4)c4nc(c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6nc(c5-c5ccc(C)cc5)C=C6)C=C4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C125H96N12O/c1-7-8-9-22-31-88-91-52-54-107(126-91)122(89-72-111-118(80-27-18-12-19-28-80)103-62-60-95(130-103)113(78-23-14-10-15-24-78)93-56-57-94(128-93)114(79-25-16-11-17-26-79)96-64-68-105(132-96)120(124(89)136-111)81-29-20-13-21-30-81)109-70-66-101(134-109)117(85-48-50-87(138-6)51-49-85)102-67-71-110(135-102)123(108-55-53-92(88)127-108)90-73-112-119(84-44-36-76(4)37-45-84)104-63-61-99(131-104)115(82-40-32-74(2)33-41-82)97-58-59-98(129-97)116(83-42-34-75(3)35-43-83)100-65-69-106(133-100)121(125(90)137-112)86-46-38-77(5)39-47-86/h10-21,23-30,32-73,127-129,134,136-137H,7-9,22,31H2,1-6H3/b91-88-,92-88-,113-93-,113-95-,114-94-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-111-,119-104-,119-112-,120-105-,121-106-,122-107-,122-109-,123-108-,123-110-,124-120-,125-121-
InChIKeyGBPRYYKCVWYHOR-LHIGFVBYSA-N
XLogP32.30
TPSA181.31 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001782.23
LogP ≤ 532.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin with MolForge

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Related Compounds

2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 44519560
5-heptyl-10,15,20-tris(3-methoxyphenyl)-21,23-dihydroporphyrin
CID 136798653
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
10-hexyl-15-(4-methylphenyl)-5-(2,4,6-trimethoxyphenyl)-21,23-dihydroporphyrin
CID 135863103
3-(15-hexyl-10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenol
CID 136798654
2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 136712274
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
5,10,15-tris(4-octoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136819984
4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol
CID 136701566
5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-21,23-dihydroporphyrin
CID 146020180
5,10,15-tris(3,5-dioctoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136690948
5-(4-fluoro-3-methylphenyl)-10-(4-methoxyphenyl)-15-(4-methylphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 135447688

Frequently Asked Questions

What is the IUPAC name of 2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The IUPAC name of 2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (CID 44519396) is 2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is CCCCCCc1c2nc(c(-c3cc4[nH]c3c(-c3ccccc3)c3nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c4-c4ccccc4)C=C5)C=C3)c3ccc([nH]3)c(-c3ccc(OC)cc3)c3nc(c(-c4cc5[nH]c4c(-c4ccc(C)cc4)c4nc(c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6nc(c5-c5ccc(C)cc5)C=C6)C=C4)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The InChIKey is GBPRYYKCVWYHOR-LHIGFVBYSA-N. The full InChI is InChI=1S/C125H96N12O/c1-7-8-9-22-31-88-91-52-54-107(126-91)122(89-72-111-118(80-27-18-12-19-28-80)103-62-60-95(130-103)113(78-23-14-10-15-24-78)93-56-57-94(128-93)114(79-25-16-11-17-26-79)96-64-68-105(132-96)120(124(89)136-111)81-29-20-13-21-30-81)109-70-66-101(134-109)117(85-48-50-87(138-6)51-49-85)102-67-71-110(135-102)123(108-55-53-92(88)127-108)90-73-112-119(84-44-36-76(4)37-45-84)104-63-61-99(131-104)115(82-40-32-74(2)33-41-82)97-58-59-98(129-97)116(83-42-34-75(3)35-43-83)100-65-69-106(133-100)121(125(90)137-112)86-46-38-77(5)39-47-86/h10-21,23-30,32-73,127-129,134,136-137H,7-9,22,31H2,1-6H3/b91-88-,92-88-,113-93-,113-95-,114-94-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-111-,119-104-,119-112-,120-105-,121-106-,122-107-,122-109-,123-108-,123-110-,124-120-,125-121-.
What are the key properties of 2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 1782.23 g/mol, XLogP of 32.30, 17 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 44519396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).