5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin

C154H160N10O6 — CID 102099268

IUPAC5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin
SMILESCC(C)(C)c1ccc(-c2c3nc(c(-c4ccc(C#Cc5c(-c6ccc(OCCCCCCCCCCOc7ccc(OCCCCCCCCCc8ccc(-c9ccccn9)nc8)cc7)cc6)cccc5-c5ccc(OCCCCCCCCCCOc6ccc(OCCCCCCCCCc7ccc(-c8ccccn8)nc7)cc6)cc5)cc4)c4ccc([nH]4)c(-c4ccc(C(C)(C)C)cc4)c4nc(c(-c5ccc(C#Cc6ccc(-c7ccccn7)nc6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C154H160N10O6/c1-153(2,3)124-73-65-122(66-74-124)151-145-97-93-141(161-145)149(120-61-53-113(54-62-120)51-52-117-60-92-140(160-112-117)137-50-33-36-103-157-137)142-94-98-146(162-142)152(123-67-75-125(76-68-123)154(4,5)6)148-100-96-144(164-148)150(143-95-99-147(151)163-143)121-63-55-114(56-64-121)57-89-134-132(118-69-77-126(78-70-118)165-104-37-23-15-7-9-17-25-39-106-167-128-81-85-130(86-82-128)169-108-41-27-19-11-13-21-29-44-115-58-90-138(158-110-115)135-48-31-34-101-155-135)46-43-47-133(134)119-71-79-127(80-72-119)166-105-38-24-16-8-10-18-26-40-107-168-129-83-87-131(88-84-129)170-109-42-28-20-12-14-22-30-45-116-59-91-139(159-111-116)136-49-32-35-102-156-136/h31-36,43,46-50,53-56,58-88,90-103,110-112,161,164H,7-30,37-42,44-45,104-109H2,1-6H3/b149-141-,149-142-,150-143-,150-144-,151-145-,151-147-,152-146-,152-148-
InChIKeyFEZIURRNOXJNFC-MWKXFKNCSA-N
MW2247.04 g/mol
LogP39.28
Rot. Bonds57

About 5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin

5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin (PubChem CID 102099268) has the molecular formula C154H160N10O6 and a molecular weight of 2247.04 g/mol. Its IUPAC name is 5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin
PubChem CID102099268
Molecular FormulaC154H160N10O6
Molecular Weight2247.04 g/mol
Exact Mass2245.25
IUPAC Name5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin
SMILESCC(C)(C)c1ccc(-c2c3nc(c(-c4ccc(C#Cc5c(-c6ccc(OCCCCCCCCCCOc7ccc(OCCCCCCCCCc8ccc(-c9ccccn9)nc8)cc7)cc6)cccc5-c5ccc(OCCCCCCCCCCOc6ccc(OCCCCCCCCCc7ccc(-c8ccccn8)nc7)cc6)cc5)cc4)c4ccc([nH]4)c(-c4ccc(C(C)(C)C)cc4)c4nc(c(-c5ccc(C#Cc6ccc(-c7ccccn7)nc6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C154H160N10O6/c1-153(2,3)124-73-65-122(66-74-124)151-145-97-93-141(161-145)149(120-61-53-113(54-62-120)51-52-117-60-92-140(160-112-117)137-50-33-36-103-157-137)142-94-98-146(162-142)152(123-67-75-125(76-68-123)154(4,5)6)148-100-96-144(164-148)150(143-95-99-147(151)163-143)121-63-55-114(56-64-121)57-89-134-132(118-69-77-126(78-70-118)165-104-37-23-15-7-9-17-25-39-106-167-128-81-85-130(86-82-128)169-108-41-27-19-11-13-21-29-44-115-58-90-138(158-110-115)135-48-31-34-101-155-135)46-43-47-133(134)119-71-79-127(80-72-119)166-105-38-24-16-8-10-18-26-40-107-168-129-83-87-131(88-84-129)170-109-42-28-20-12-14-22-30-45-116-59-91-139(159-111-116)136-49-32-35-102-156-136/h31-36,43,46-50,53-56,58-88,90-103,110-112,161,164H,7-30,37-42,44-45,104-109H2,1-6H3/b149-141-,149-142-,150-143-,150-144-,151-145-,151-147-,152-146-,152-148-
InChIKeyFEZIURRNOXJNFC-MWKXFKNCSA-N
XLogP39.28
TPSA190.08 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds57
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002247.04
LogP ≤ 539.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin with MolForge

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Related Compounds

5,10,15-tris(4-tert-butylphenyl)-20-[4-[4-[1-[2-[4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]butoxy]naphthalen-1-yl]naphthalen-2-yl]oxybutoxy]phenyl]-21,23-dihydroporphyrin
CID 132506460
5,15-bis[2-(4-butylphenyl)ethynyl]-10,20-bis(3,5-dioctoxyphenyl)-21,23-dihydroporphyrin
CID 136746054
5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin
CID 101169177
5-(4-hex-1-ynylphenyl)-10,15,20-tripyridin-2-yl-21,23-dihydroporphyrin
CID 136901174
5-[4-[15-[4-(5-hydroxypentoxy)phenyl]-10,20-diphenyl-21,23-dihydroporphyrin-5-yl]phenoxy]pentan-1-ol
CID 136753079
5,10,15-tris(4-octoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136819984
3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]propan-1-ol
CID 136693994
5,10,15,20-tetrakis[4-(10-pyrazin-2-yldecoxy)phenyl]-21,23-dihydroporphyrin
CID 101476899
5,15-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-10,20-bis(4-methoxyphenyl)-21,23-dihydroporphyrin
CID 101187091
5,10,15,20-tetrakis(4-octoxyphenyl)-21,22-dihydroporphyrin
CID 11228608
trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane
CID 10629493
2-methyl-4-[4-[7,12,17-tris(4-octoxyphenyl)-21-thia-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-2-yl]phenyl]but-3-yn-2-ol
CID 11228580

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin (CID 102099268) is 5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin is CC(C)(C)c1ccc(-c2c3nc(c(-c4ccc(C#Cc5c(-c6ccc(OCCCCCCCCCCOc7ccc(OCCCCCCCCCc8ccc(-c9ccccn9)nc8)cc7)cc6)cccc5-c5ccc(OCCCCCCCCCCOc6ccc(OCCCCCCCCCc7ccc(-c8ccccn8)nc7)cc6)cc5)cc4)c4ccc([nH]4)c(-c4ccc(C(C)(C)C)cc4)c4nc(c(-c5ccc(C#Cc6ccc(-c7ccccn7)nc6)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin?
The InChIKey is FEZIURRNOXJNFC-MWKXFKNCSA-N. The full InChI is InChI=1S/C154H160N10O6/c1-153(2,3)124-73-65-122(66-74-124)151-145-97-93-141(161-145)149(120-61-53-113(54-62-120)51-52-117-60-92-140(160-112-117)137-50-33-36-103-157-137)142-94-98-146(162-142)152(123-67-75-125(76-68-123)154(4,5)6)148-100-96-144(164-148)150(143-95-99-147(151)163-143)121-63-55-114(56-64-121)57-89-134-132(118-69-77-126(78-70-118)165-104-37-23-15-7-9-17-25-39-106-167-128-81-85-130(86-82-128)169-108-41-27-19-11-13-21-29-44-115-58-90-138(158-110-115)135-48-31-34-101-155-135)46-43-47-133(134)119-71-79-127(80-72-119)166-105-38-24-16-8-10-18-26-40-107-168-129-83-87-131(88-84-129)170-109-42-28-20-12-14-22-30-45-116-59-91-139(159-111-116)136-49-32-35-102-156-136/h31-36,43,46-50,53-56,58-88,90-103,110-112,161,164H,7-30,37-42,44-45,104-109H2,1-6H3/b149-141-,149-142-,150-143-,150-144-,151-145-,151-147-,152-146-,152-148-.
What are the key properties of 5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin?
5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin has a molecular weight of 2247.04 g/mol, XLogP of 39.28, 57 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[2,6-bis[4-[10-[4-[9-(6-pyridin-2-yl-3-pyridinyl)nonoxy]phenoxy]decoxy]phenyl]phenyl]ethynyl]phenyl]-10,20-bis(4-tert-butylphenyl)-15-[4-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 102099268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).