15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene

C48H32N2S — CID 144969913

IUPAC15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene
SMILESC1=CC2c3cc4c5cc6sc7ccc(-c8ccccc8)cc7c6cc5n(-c5ccccc5)c4cc3N(c3cccc(-c4ccccc4)c3)C2C=C1
InChIInChI=1S/C48H32N2S/c1-4-13-31(14-5-1)33-17-12-20-36(25-33)50-43-22-11-10-21-37(43)38-27-39-40-29-48-42(41-26-34(23-24-47(41)51-48)32-15-6-2-7-16-32)28-44(40)49(46(39)30-45(38)50)35-18-8-3-9-19-35/h1-30,37,43H
InChIKeyLFULJWUEPJWYCA-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.22
Rot. Bonds4

About 15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene

15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene (PubChem CID 144969913) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is 15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene.

Molecular Properties

Compound Name15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene
PubChem CID144969913
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC Name15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene
SMILESC1=CC2c3cc4c5cc6sc7ccc(-c8ccccc8)cc7c6cc5n(-c5ccccc5)c4cc3N(c3cccc(-c4ccccc4)c3)C2C=C1
InChIInChI=1S/C48H32N2S/c1-4-13-31(14-5-1)33-17-12-20-36(25-33)50-43-22-11-10-21-37(43)38-27-39-40-29-48-42(41-26-34(23-24-47(41)51-48)32-15-6-2-7-16-32)28-44(40)49(46(39)30-45(38)50)35-18-8-3-9-19-35/h1-30,37,43H
InChIKeyLFULJWUEPJWYCA-UHFFFAOYSA-N
XLogP13.22
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene with MolForge

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Related Compounds

3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole
CID 159841599
6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole
CID 123494743
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
CID 163822148
CID 163822148

Frequently Asked Questions

What is the IUPAC name of 15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene?
The IUPAC name of 15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene (CID 144969913) is 15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene.
What is the SMILES notation for 15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene?
The canonical SMILES for 15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene is C1=CC2c3cc4c5cc6sc7ccc(-c8ccccc8)cc7c6cc5n(-c5ccccc5)c4cc3N(c3cccc(-c4ccccc4)c3)C2C=C1.
What is the InChIKey of 15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene?
The InChIKey is LFULJWUEPJWYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-4-13-31(14-5-1)33-17-12-20-36(25-33)50-43-22-11-10-21-37(43)38-27-39-40-29-48-42(41-26-34(23-24-47(41)51-48)32-15-6-2-7-16-32)28-44(40)49(46(39)30-45(38)50)35-18-8-3-9-19-35/h1-30,37,43H.
What are the key properties of 15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene?
15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene has a molecular weight of 668.87 g/mol, XLogP of 13.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene is sourced from PubChem (CID 144969913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).