3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine

C178H122N10O2S4 — CID 162050726

IUPAC3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)cc3CSC4)c2)cc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)CSCc3ccc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)cc3-4)c2)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)CSCc3ccc(-c5ccc6oc7ccccc7c6c5)cc3-4)c2)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)CSCc3ccc(-c5cccc6oc7ccccc7c56)cc3-4)c2)c1
InChIInChI=1S/C48H34N2S.C46H32N4S.2C42H28N2OS/c1-3-9-33(10-4-1)40-22-41(34-11-5-2-6-12-34)24-43(23-40)36-15-16-39-31-51-32-46-21-35(17-18-47(46)48(39)28-36)42-25-44(37-13-7-19-49-29-37)27-45(26-42)38-14-8-20-50-30-38;1-5-33(25-47-13-1)40-18-38(19-41(22-40)34-6-2-14-48-26-34)31-11-12-45-44(17-31)30-51-29-37-10-9-32(24-46(37)45)39-20-42(35-7-3-15-49-27-35)23-43(21-39)36-8-4-16-50-28-36;1-2-10-40-38(8-1)42-37(9-3-11-41(42)45-40)28-12-13-31-25-46-26-35-18-27(14-15-36(35)39(31)22-28)32-19-33(29-6-4-16-43-23-29)21-34(20-32)30-7-5-17-44-24-30;1-2-8-41-38(7-1)40-22-29(12-14-42(40)45-41)28-9-10-32-25-46-26-36-17-27(11-13-37(36)39(32)21-28)33-18-34(30-5-3-15-43-23-30)20-35(19-33)31-6-4-16-44-24-31/h1-30H,31-32H2;1-28H,29-30H2;2*1-24H,25-26H2
InChIKeyYYMZQRNSMXZZJF-UHFFFAOYSA-N
MW2561.27 g/mol
LogP47.49
Rot. Bonds20

About 3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine

3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine (PubChem CID 162050726) has the molecular formula C178H122N10O2S4 and a molecular weight of 2561.27 g/mol. Its IUPAC name is 3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine.

Molecular Properties

Compound Name3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine
PubChem CID162050726
Molecular FormulaC178H122N10O2S4
Molecular Weight2561.27 g/mol
Exact Mass2558.86
IUPAC Name3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)cc3CSC4)c2)cc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)CSCc3ccc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)cc3-4)c2)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)CSCc3ccc(-c5ccc6oc7ccccc7c6c5)cc3-4)c2)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)CSCc3ccc(-c5cccc6oc7ccccc7c56)cc3-4)c2)c1
InChIInChI=1S/C48H34N2S.C46H32N4S.2C42H28N2OS/c1-3-9-33(10-4-1)40-22-41(34-11-5-2-6-12-34)24-43(23-40)36-15-16-39-31-51-32-46-21-35(17-18-47(46)48(39)28-36)42-25-44(37-13-7-19-49-29-37)27-45(26-42)38-14-8-20-50-30-38;1-5-33(25-47-13-1)40-18-38(19-41(22-40)34-6-2-14-48-26-34)31-11-12-45-44(17-31)30-51-29-37-10-9-32(24-46(37)45)39-20-42(35-7-3-15-49-27-35)23-43(21-39)36-8-4-16-50-28-36;1-2-10-40-38(8-1)42-37(9-3-11-41(42)45-40)28-12-13-31-25-46-26-35-18-27(14-15-36(35)39(31)22-28)32-19-33(29-6-4-16-43-23-29)21-34(20-32)30-7-5-17-44-24-30;1-2-8-41-38(7-1)40-22-29(12-14-42(40)45-41)28-9-10-32-25-46-26-36-17-27(11-13-37(36)39(32)21-28)33-18-34(30-5-3-15-43-23-30)20-35(19-33)31-6-4-16-44-24-31/h1-30H,31-32H2;1-28H,29-30H2;2*1-24H,25-26H2
InChIKeyYYMZQRNSMXZZJF-UHFFFAOYSA-N
XLogP47.49
TPSA155.18 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002561.27
LogP ≤ 547.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441507
4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-2,6-diphenylpyridine;4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-2,6-diphenylpyridine;4-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-2,6-diphenylpyridine
CID 160901581
3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzoxepin-3-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441577
3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441614
4-(3-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzoxepin-10-yl)-2,6-diphenylpyridine;3-[3-(3-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzoxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine;3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzoxepine
CID 162096333
3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine
CID 161054190
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
4-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-2,6-diphenylpyridine;9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole;9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-3-isocyanocarbazole;4-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-2,6-diphenylpyridine
CID 158170779
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130263357
2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 155077884
2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365
bis(9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-3-isocyanocarbazole);9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-3-isocyanocarbazole
CID 160534888

Frequently Asked Questions

What is the IUPAC name of 3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine?
The IUPAC name of 3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine (CID 162050726) is 3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine.
What is the SMILES notation for 3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine?
The canonical SMILES for 3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)cc3CSC4)c2)cc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)CSCc3ccc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)cc3-4)c2)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)CSCc3ccc(-c5ccc6oc7ccccc7c6c5)cc3-4)c2)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)CSCc3ccc(-c5cccc6oc7ccccc7c56)cc3-4)c2)c1.
What is the InChIKey of 3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine?
The InChIKey is YYMZQRNSMXZZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2S.C46H32N4S.2C42H28N2OS/c1-3-9-33(10-4-1)40-22-41(34-11-5-2-6-12-34)24-43(23-40)36-15-16-39-31-51-32-46-21-35(17-18-47(46)48(39)28-36)42-25-44(37-13-7-19-49-29-37)27-45(26-42)38-14-8-20-50-30-38;1-5-33(25-47-13-1)40-18-38(19-41(22-40)34-6-2-14-48-26-34)31-11-12-45-44(17-31)30-51-29-37-10-9-32(24-46(37)45)39-20-42(35-7-3-15-49-27-35)23-43(21-39)36-8-4-16-50-28-36;1-2-10-40-38(8-1)42-37(9-3-11-41(42)45-40)28-12-13-31-25-46-26-35-18-27(14-15-36(35)39(31)22-28)32-19-33(29-6-4-16-43-23-29)21-34(20-32)30-7-5-17-44-24-30;1-2-8-41-38(7-1)40-22-29(12-14-42(40)45-41)28-9-10-32-25-46-26-36-17-27(11-13-37(36)39(32)21-28)33-18-34(30-5-3-15-43-23-30)20-35(19-33)31-6-4-16-44-24-31/h1-30H,31-32H2;1-28H,29-30H2;2*1-24H,25-26H2.
What are the key properties of 3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine?
3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine has a molecular weight of 2561.27 g/mol, XLogP of 47.49, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine is sourced from PubChem (CID 162050726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).