15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene

C48H27N3S2 — CID 162425336

IUPAC15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5sc6cc(-c7ccccc7)c7ccc8sc9ccccc9c8c7c6c5cc43)nc3ccccc23)cc1
InChIInChI=1S/C48H27N3S2/c1-3-13-28(14-4-1)34-26-43-45(46-31(34)23-24-41-44(46)33-19-9-12-22-40(33)52-41)36-25-39-35(27-42(36)53-43)30-17-8-11-21-38(30)51(39)48-49-37-20-10-7-18-32(37)47(50-48)29-15-5-2-6-16-29/h1-27H
InChIKeyQUCNLUVEUVSCBF-UHFFFAOYSA-N
MW709.90 g/mol
LogP13.95
Rot. Bonds3

About 15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene

15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene (PubChem CID 162425336) has the molecular formula C48H27N3S2 and a molecular weight of 709.90 g/mol. Its IUPAC name is 15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene.

Molecular Properties

Compound Name15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene
PubChem CID162425336
Molecular FormulaC48H27N3S2
Molecular Weight709.90 g/mol
Exact Mass709.16
IUPAC Name15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5sc6cc(-c7ccccc7)c7ccc8sc9ccccc9c8c7c6c5cc43)nc3ccccc23)cc1
InChIInChI=1S/C48H27N3S2/c1-3-13-28(14-4-1)34-26-43-45(46-31(34)23-24-41-44(46)33-19-9-12-22-40(33)52-41)36-25-39-35(27-42(36)53-43)30-17-8-11-21-38(30)51(39)48-49-37-20-10-7-18-32(37)47(50-48)29-15-5-2-6-16-29/h1-27H
InChIKeyQUCNLUVEUVSCBF-UHFFFAOYSA-N
XLogP13.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.90
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene with MolForge

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Related Compounds

7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129254561
11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 147883885
9-(4-phenylquinazolin-2-yl)-18,24-dithia-9-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene
CID 146610266
3-[9-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 138475093
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,15-dithia-19-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 118301202
22-(4-phenylquinazolin-2-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122466175
9-(4-naphtho[2,1-b][1]benzothiol-5-ylquinazolin-2-yl)-3-(2-phenylcarbazol-9-yl)carbazole
CID 155485518
5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 122692448
11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 140775884
9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1-naphtho[2,1-b][1]benzothiol-9-ylcarbazole
CID 142570384
22-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-9-thia-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 126621480
11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 159705158

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene?
The IUPAC name of 15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene (CID 162425336) is 15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene.
What is the SMILES notation for 15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene?
The canonical SMILES for 15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene is c1ccc(-c2nc(-n3c4ccccc4c4cc5sc6cc(-c7ccccc7)c7ccc8sc9ccccc9c8c7c6c5cc43)nc3ccccc23)cc1.
What is the InChIKey of 15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene?
The InChIKey is QUCNLUVEUVSCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27N3S2/c1-3-13-28(14-4-1)34-26-43-45(46-31(34)23-24-41-44(46)33-19-9-12-22-40(33)52-41)36-25-39-35(27-42(36)53-43)30-17-8-11-21-38(30)51(39)48-49-37-20-10-7-18-32(37)47(50-48)29-15-5-2-6-16-29/h1-27H.
What are the key properties of 15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene?
15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene has a molecular weight of 709.90 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene is sourced from PubChem (CID 162425336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).