2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine

C104H76N12O6 — CID 177485606

IUPAC2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-c5cc6c(cc5-c5ccc(-c7ccnc(-c8cccc(-c9ccccn9)n8)c7)cc5)OCCOCCOc5cc(-c7ccc(-c8ccnc(-c9cccc(-c%10ccccn%10)n9)c8)cc7)c(-c7ccc(-c8ccnc(-c9cccc(-c%10ccccn%10)n9)c8)cc7)cc5OCCOCCO6)cc4)ccn3)n2)nc1
InChIInChI=1S/C104H76N12O6/c1-5-45-105-85(13-1)89-17-9-21-93(113-89)97-61-77(41-49-109-97)69-25-33-73(34-26-69)81-65-101-102(66-82(81)74-35-27-70(28-36-74)78-42-50-110-98(62-78)94-22-10-18-90(114-94)86-14-2-6-46-106-86)120-58-54-118-56-60-122-104-68-84(76-39-31-72(32-40-76)80-44-52-112-100(64-80)96-24-12-20-92(116-96)88-16-4-8-48-108-88)83(67-103(104)121-59-55-117-53-57-119-101)75-37-29-71(30-38-75)79-43-51-111-99(63-79)95-23-11-19-91(115-95)87-15-3-7-47-107-87/h1-52,61-68H,53-60H2
InChIKeyGLFPOSQBKLNCQG-UHFFFAOYSA-N
MW1589.83 g/mol
LogP22.36
Rot. Bonds16

About 2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine

2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine (PubChem CID 177485606) has the molecular formula C104H76N12O6 and a molecular weight of 1589.83 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine
PubChem CID177485606
Molecular FormulaC104H76N12O6
Molecular Weight1589.83 g/mol
Exact Mass1588.60
IUPAC Name2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-c5cc6c(cc5-c5ccc(-c7ccnc(-c8cccc(-c9ccccn9)n8)c7)cc5)OCCOCCOc5cc(-c7ccc(-c8ccnc(-c9cccc(-c%10ccccn%10)n9)c8)cc7)c(-c7ccc(-c8ccnc(-c9cccc(-c%10ccccn%10)n9)c8)cc7)cc5OCCOCCO6)cc4)ccn3)n2)nc1
InChIInChI=1S/C104H76N12O6/c1-5-45-105-85(13-1)89-17-9-21-93(113-89)97-61-77(41-49-109-97)69-25-33-73(34-26-69)81-65-101-102(66-82(81)74-35-27-70(28-36-74)78-42-50-110-98(62-78)94-22-10-18-90(114-94)86-14-2-6-46-106-86)120-58-54-118-56-60-122-104-68-84(76-39-31-72(32-40-76)80-44-52-112-100(64-80)96-24-12-20-92(116-96)88-16-4-8-48-108-88)83(67-103(104)121-59-55-117-53-57-119-101)75-37-29-71(30-38-75)79-43-51-111-99(63-79)95-23-11-19-91(115-95)87-15-3-7-47-107-87/h1-52,61-68H,53-60H2
InChIKeyGLFPOSQBKLNCQG-UHFFFAOYSA-N
XLogP22.36
TPSA210.06 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001589.83
LogP ≤ 522.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine with MolForge

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Related Compounds

2-pyridin-2-yl-4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyridine
CID 10389614
13,14,30,31-tetrapyridin-2-yl-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene
CID 102343611
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 164817157
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
26-(4-methylphenyl)-8,11,14,17-tetraoxa-28-azatetracyclo[22.3.1.02,7.018,23]octacosa-1(27),2,4,6,18,20,22,24(28),25-nonaene
CID 139088037
36,38-dipyridin-4-yl-2,5,8,11,25,28,31,34-octaoxa-14,22,40-triazatricyclo[33.2.2.116,20]tetraconta-1(37),16,18,20(40),35,38-hexaene-15,21-dione
CID 102340443
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine?
The IUPAC name of 2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine (CID 177485606) is 2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine is c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cc6c(cc5-c5ccc(-c7ccnc(-c8cccc(-c9ccccn9)n8)c7)cc5)OCCOCCOc5cc(-c7ccc(-c8ccnc(-c9cccc(-c%10ccccn%10)n9)c8)cc7)c(-c7ccc(-c8ccnc(-c9cccc(-c%10ccccn%10)n9)c8)cc7)cc5OCCOCCO6)cc4)ccn3)n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine?
The InChIKey is GLFPOSQBKLNCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H76N12O6/c1-5-45-105-85(13-1)89-17-9-21-93(113-89)97-61-77(41-49-109-97)69-25-33-73(34-26-69)81-65-101-102(66-82(81)74-35-27-70(28-36-74)78-42-50-110-98(62-78)94-22-10-18-90(114-94)86-14-2-6-46-106-86)120-58-54-118-56-60-122-104-68-84(76-39-31-72(32-40-76)80-44-52-112-100(64-80)96-24-12-20-92(116-96)88-16-4-8-48-108-88)83(67-103(104)121-59-55-117-53-57-119-101)75-37-29-71(30-38-75)79-43-51-111-99(63-79)95-23-11-19-91(115-95)87-15-3-7-47-107-87/h1-52,61-68H,53-60H2.
What are the key properties of 2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine?
2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine has a molecular weight of 1589.83 g/mol, XLogP of 22.36, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-6-[4-[4-[12,24,25-tris[4-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]phenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 177485606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).