18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene

C45H30N2S — CID 144757649

IUPAC18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5C5c6c(sc7ccccc67)-c6ccccc6C54)c3)c2)cc1
InChIInChI=1S/C45H30N2S/c1-3-14-29(15-4-1)32-27-38(30-16-5-2-6-17-30)46-39(28-32)31-18-13-19-33(26-31)47-40-24-11-9-22-36(40)42-43-37-23-10-12-25-41(37)48-45(43)35-21-8-7-20-34(35)44(42)47/h1-28,42,44H
InChIKeyVZVZJGPVEUZYNW-UHFFFAOYSA-N
MW630.82 g/mol
LogP12.30
Rot. Bonds4

About 18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene

18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene (PubChem CID 144757649) has the molecular formula C45H30N2S and a molecular weight of 630.82 g/mol. Its IUPAC name is 18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene.

Molecular Properties

Compound Name18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene
PubChem CID144757649
Molecular FormulaC45H30N2S
Molecular Weight630.82 g/mol
Exact Mass630.21
IUPAC Name18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5C5c6c(sc7ccccc67)-c6ccccc6C54)c3)c2)cc1
InChIInChI=1S/C45H30N2S/c1-3-14-29(15-4-1)32-27-38(30-16-5-2-6-17-30)46-39(28-32)31-18-13-19-33(26-31)47-40-24-11-9-22-36(40)42-43-37-23-10-12-25-41(37)48-45(43)35-21-8-7-20-34(35)44(42)47/h1-28,42,44H
InChIKeyVZVZJGPVEUZYNW-UHFFFAOYSA-N
XLogP12.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.82
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene with MolForge

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Related Compounds

2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine
CID 174327283
22-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene
CID 164962950
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine
CID 59133526
22-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-20-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene
CID 153171227
2-phenyl-6-(4-phenylphenyl)-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1'-ylphenyl)pyridine
CID 134529350
22-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene
CID 171739955
9-[3-[4-(4-carbazol-9-ylphenyl)-6-[3-(9H-fluoren-9-yl)phenyl]-2-pyridinyl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole;9-[3-[3-[6-[3-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;9-[4-[3-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 161277059
4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene
CID 163931091
7-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163768793
17-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-thia-17-azahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene
CID 134369892
22-dibenzothiophen-2-yl-9-phenyl-8,22,30-triazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7,9,11(30),12,14,16(29),17(28),18,20,23,25-pentadecaene
CID 138602769
7-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163552667

Frequently Asked Questions

What is the IUPAC name of 18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene?
The IUPAC name of 18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene (CID 144757649) is 18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene.
What is the SMILES notation for 18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene?
The canonical SMILES for 18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5C5c6c(sc7ccccc67)-c6ccccc6C54)c3)c2)cc1.
What is the InChIKey of 18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene?
The InChIKey is VZVZJGPVEUZYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2S/c1-3-14-29(15-4-1)32-27-38(30-16-5-2-6-17-30)46-39(28-32)31-18-13-19-33(26-31)47-40-24-11-9-22-36(40)42-43-37-23-10-12-25-41(37)48-45(43)35-21-8-7-20-34(35)44(42)47/h1-28,42,44H.
What are the key properties of 18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene?
18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene has a molecular weight of 630.82 g/mol, XLogP of 12.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,19,21,23-decaene is sourced from PubChem (CID 144757649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).