14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene

C49H30N4S — CID 145170168

IUPAC14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene
SMILESc1ccc(-c2c3ccccc3n3c4sc5ccccc5c4c4cc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)ccc4c23)cc1
InChIInChI=1S/C49H30N4S/c1-2-12-33(13-3-1)46-37-14-4-6-18-44(37)53-48(46)36-25-24-34(28-39(36)47-38-15-5-7-19-45(38)54-49(47)53)31-20-22-32(23-21-31)35-29-42(40-16-8-10-26-50-40)52-43(30-35)41-17-9-11-27-51-41/h1-30H
InChIKeyHGDRWXLPWUIIFM-UHFFFAOYSA-N
MW706.87 g/mol
LogP13.13
Rot. Bonds5

About 14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene

14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene (PubChem CID 145170168) has the molecular formula C49H30N4S and a molecular weight of 706.87 g/mol. Its IUPAC name is 14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene.

Molecular Properties

Compound Name14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene
PubChem CID145170168
Molecular FormulaC49H30N4S
Molecular Weight706.87 g/mol
Exact Mass706.22
IUPAC Name14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene
SMILESc1ccc(-c2c3ccccc3n3c4sc5ccccc5c4c4cc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)ccc4c23)cc1
InChIInChI=1S/C49H30N4S/c1-2-12-33(13-3-1)46-37-14-4-6-18-44(37)53-48(46)36-25-24-34(28-39(36)47-38-15-5-7-19-45(38)54-49(47)53)31-20-22-32(23-21-31)35-29-42(40-16-8-10-26-50-40)52-43(30-35)41-17-9-11-27-51-41/h1-30H
InChIKeyHGDRWXLPWUIIFM-UHFFFAOYSA-N
XLogP13.13
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.87
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene with MolForge

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Related Compounds

13-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene
CID 145170146
9-phenyl-14-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene
CID 145170209
2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine
CID 164817004
3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 157078508
10-(20-thia-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaen-10-yl)-20-thia-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene
CID 167072125
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289394
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
5,22-diphenyl-18-(4-phenylphenyl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(2,6-dipyridin-2-yl-4-pyridinyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-naphthalen-2-yl-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 158499761
5,22-diphenyl-18-(4-phenylphenyl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(2,6-dipyridin-2-yl-4-pyridinyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 161046955
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-18,21-dithia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635083
4-pyridin-2-yl-23-thia-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 164803100

Frequently Asked Questions

What is the IUPAC name of 14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene?
The IUPAC name of 14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene (CID 145170168) is 14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene.
What is the SMILES notation for 14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene?
The canonical SMILES for 14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene is c1ccc(-c2c3ccccc3n3c4sc5ccccc5c4c4cc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)ccc4c23)cc1.
What is the InChIKey of 14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene?
The InChIKey is HGDRWXLPWUIIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4S/c1-2-12-33(13-3-1)46-37-14-4-6-18-44(37)53-48(46)36-25-24-34(28-39(36)47-38-15-5-7-19-45(38)54-49(47)53)31-20-22-32(23-21-31)35-29-42(40-16-8-10-26-50-40)52-43(30-35)41-17-9-11-27-51-41/h1-30H.
What are the key properties of 14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene?
14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene has a molecular weight of 706.87 g/mol, XLogP of 13.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenyl-24-thia-2-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene is sourced from PubChem (CID 145170168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).