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

C178H122N4O3S4 — CID 160901581

IUPAC4-(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
SMILESc1ccc(-c2cc(-c3ccc4c(c3)CSCc3ccc(-c5ccc6c(c5)oc5ccccc56)cc3-4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)CSCc3ccc(-c5ccc6oc7ccccc7c6c5)cc3-4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)CSCc3ccc(-c5cccc6oc7ccccc7c56)cc3-4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc3CSC4)c2)cc1
InChIInChI=1S/C49H35NS.3C43H29NOS/c1-5-13-34(14-6-1)41-26-42(35-15-7-2-8-16-35)28-43(27-41)39-21-22-40-32-51-33-45-25-38(23-24-46(45)47(40)29-39)44-30-48(36-17-9-3-10-18-36)50-49(31-44)37-19-11-4-12-20-37;1-3-10-28(11-4-1)39-24-33(25-40(44-39)29-12-5-2-6-13-29)30-20-21-35-34(22-30)27-46-26-32-19-18-31(23-38(32)35)36-15-9-17-42-43(36)37-14-7-8-16-41(37)45-42;1-3-9-28(10-4-1)40-23-34(24-41(44-40)29-11-5-2-6-12-29)30-17-19-36-35(21-30)27-46-26-33-16-15-31(22-39(33)36)32-18-20-38-37-13-7-8-14-42(37)45-43(38)25-32;1-3-9-28(10-4-1)40-24-34(25-41(44-40)29-11-5-2-6-12-29)30-17-19-36-35(21-30)27-46-26-33-16-15-31(22-38(33)36)32-18-20-43-39(23-32)37-13-7-8-14-42(37)45-43/h1-31H,32-33H2;3*1-25H,26-27H2
InChIKeySPOOVTIFIWWELD-UHFFFAOYSA-N
MW2493.23 g/mol
LogP49.69
Rot. Bonds18

About 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

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 (PubChem CID 160901581) has the molecular formula C178H122N4O3S4 and a molecular weight of 2493.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID160901581
Molecular FormulaC178H122N4O3S4
Molecular Weight2493.23 g/mol
Exact Mass2490.84
IUPAC Name4-(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
SMILESc1ccc(-c2cc(-c3ccc4c(c3)CSCc3ccc(-c5ccc6c(c5)oc5ccccc56)cc3-4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)CSCc3ccc(-c5ccc6oc7ccccc7c6c5)cc3-4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)CSCc3ccc(-c5cccc6oc7ccccc7c56)cc3-4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc3CSC4)c2)cc1
InChIInChI=1S/C49H35NS.3C43H29NOS/c1-5-13-34(14-6-1)41-26-42(35-15-7-2-8-16-35)28-43(27-41)39-21-22-40-32-51-33-45-25-38(23-24-46(45)47(40)29-39)44-30-48(36-17-9-3-10-18-36)50-49(31-44)37-19-11-4-12-20-37;1-3-10-28(11-4-1)39-24-33(25-40(44-39)29-12-5-2-6-13-29)30-20-21-35-34(22-30)27-46-26-32-19-18-31(23-38(32)35)36-15-9-17-42-43(36)37-14-7-8-16-41(37)45-42;1-3-9-28(10-4-1)40-23-34(24-41(44-40)29-11-5-2-6-12-29)30-17-19-36-35(21-30)27-46-26-33-16-15-31(22-39(33)36)32-18-20-38-37-13-7-8-14-42(37)45-43(38)25-32;1-3-9-28(10-4-1)40-24-34(25-41(44-40)29-11-5-2-6-12-29)30-17-19-36-35(21-30)27-46-26-33-16-15-31(22-38(33)36)32-18-20-43-39(23-32)37-13-7-8-14-42(37)45-43/h1-31H,32-33H2;3*1-25H,26-27H2
InChIKeySPOOVTIFIWWELD-UHFFFAOYSA-N
XLogP49.69
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002493.23
LogP ≤ 549.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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
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
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252
4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine
CID 138651380
4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine
CID 162775240
4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine
CID 121441625
2,4-bis[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyridine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyridine;4-[4-[4-(7-fluoro-9H-fluoren-3-yl)phenyl]phenyl]-2-(4-naphthalen-1-ylphenyl)-6-phenylpyridine
CID 158868174
10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
CID 121441987
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-(4-dibenzofuran-1-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine;4-(4-dibenzofuran-3-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine
CID 158640831
2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157361535
4-(4-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
CID 121460844
2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc4c(c3)CSCc3ccc(-c5ccc6c(c5)oc5ccccc56)cc3-4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)CSCc3ccc(-c5ccc6oc7ccccc7c6c5)cc3-4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)CSCc3ccc(-c5cccc6oc7ccccc7c56)cc3-4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc3CSC4)c2)cc1.
What is the InChIKey of 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?
The InChIKey is SPOOVTIFIWWELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NS.3C43H29NOS/c1-5-13-34(14-6-1)41-26-42(35-15-7-2-8-16-35)28-43(27-41)39-21-22-40-32-51-33-45-25-38(23-24-46(45)47(40)29-39)44-30-48(36-17-9-3-10-18-36)50-49(31-44)37-19-11-4-12-20-37;1-3-10-28(11-4-1)39-24-33(25-40(44-39)29-12-5-2-6-13-29)30-20-21-35-34(22-30)27-46-26-32-19-18-31(23-38(32)35)36-15-9-17-42-43(36)37-14-7-8-16-41(37)45-42;1-3-9-28(10-4-1)40-23-34(24-41(44-40)29-11-5-2-6-12-29)30-17-19-36-35(21-30)27-46-26-33-16-15-31(22-39(33)36)32-18-20-38-37-13-7-8-14-42(37)45-43(38)25-32;1-3-9-28(10-4-1)40-24-34(25-41(44-40)29-11-5-2-6-12-29)30-17-19-36-35(21-30)27-46-26-33-16-15-31(22-38(33)36)32-18-20-43-39(23-32)37-13-7-8-14-42(37)45-43/h1-31H,32-33H2;3*1-25H,26-27H2.
What are the key properties of 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?
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 has a molecular weight of 2493.23 g/mol, XLogP of 49.69, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160901581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).