11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

C44H26N4S — CID 163868911

IUPAC11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5sc6cc7c(cc6c5ccc43)c3ccccc3n7-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C44H26N4S/c1-3-13-27(14-4-1)43-45-35-20-10-7-18-31(35)44(46-43)48-37-22-12-9-19-32(37)41-38(48)24-23-30-34-25-33-29-17-8-11-21-36(29)47(28-15-5-2-6-16-28)39(33)26-40(34)49-42(30)41/h1-26H
InChIKeyPJBJQHQSJVRTDR-UHFFFAOYSA-N
MW642.79 g/mol
LogP11.86
Rot. Bonds3

About 11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 163868911) has the molecular formula C44H26N4S and a molecular weight of 642.79 g/mol. Its IUPAC name is 11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
PubChem CID163868911
Molecular FormulaC44H26N4S
Molecular Weight642.79 g/mol
Exact Mass642.19
IUPAC Name11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5sc6cc7c(cc6c5ccc43)c3ccccc3n7-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C44H26N4S/c1-3-13-27(14-4-1)43-45-35-20-10-7-18-31(35)44(46-43)48-37-22-12-9-19-32(37)41-38(48)24-23-30-34-25-33-29-17-8-11-21-36(29)47(28-15-5-2-6-16-28)39(33)26-40(34)49-42(30)41/h1-26H
InChIKeyPJBJQHQSJVRTDR-UHFFFAOYSA-N
XLogP11.86
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.79
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene with MolForge

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
CID 126632833
5-(3-phenylphenyl)-24-(4-phenylphenyl)-15-thia-5,24-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2,4(12),6,8,10,13,17(25),18,20,22,26-dodecaene
CID 171588281
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 67701024
10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 153460399
18-phenyl-11-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 130397981
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 171402662
20-(3-phenanthren-9-ylphenyl)-11,24-diphenyl-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene
CID 130398241
5-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 90211244
4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole
CID 154514157
11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 171591411
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 162164972
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,24-dithia-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 118301265

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?
The IUPAC name of 11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene (CID 163868911) is 11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2nc(-n3c4ccccc4c4c5sc6cc7c(cc6c5ccc43)c3ccccc3n7-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?
The InChIKey is PJBJQHQSJVRTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4S/c1-3-13-27(14-4-1)43-45-35-20-10-7-18-31(35)44(46-43)48-37-22-12-9-19-32(37)41-38(48)24-23-30-34-25-33-29-17-8-11-21-36(29)47(28-15-5-2-6-16-28)39(33)26-40(34)49-42(30)41/h1-26H.
What are the key properties of 11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?
11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene has a molecular weight of 642.79 g/mol, XLogP of 11.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 163868911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).