2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine

C190H134N4OS4 — CID 159107525

IUPAC2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-c5cccc6oc7ccccc7c56)ccc3CSC4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc3CSC4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc3CSC4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)ccc3CSC4)c2)cc1
InChIInChI=1S/C50H36S.C49H35NS.C48H34N2S.C43H29NOS/c1-5-13-35(14-6-1)43-25-44(36-15-7-2-8-16-36)28-47(27-43)39-21-23-41-33-51-34-42-24-22-40(32-50(42)49(41)31-39)48-29-45(37-17-9-3-10-18-37)26-46(30-48)38-19-11-4-12-20-38;1-5-13-34(14-6-1)42-25-43(35-15-7-2-8-16-35)27-44(26-42)38-21-23-40-32-51-33-41-24-22-39(29-47(41)46(40)28-38)45-30-48(36-17-9-3-10-18-36)50-49(31-45)37-19-11-4-12-20-37;1-3-9-33(10-4-1)41-21-42(34-11-5-2-6-12-34)23-43(22-41)35-15-17-39-31-51-32-40-18-16-36(28-48(40)47(39)27-35)44-24-45(37-13-7-19-49-29-37)26-46(25-44)38-14-8-20-50-30-38;1-3-10-28(11-4-1)39-24-34(25-40(44-39)29-12-5-2-6-13-29)30-18-20-32-26-46-27-33-21-19-31(23-38(33)37(32)22-30)35-15-9-17-42-43(35)36-14-7-8-16-41(36)45-42/h1-32H,33-34H2;1-31H,32-33H2;1-30H,31-32H2;1-25H,26-27H2
InChIKeyKEBPXNPVCVVGJH-UHFFFAOYSA-N
MW2617.46 g/mol
LogP52.56
Rot. Bonds22

About 2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine

2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine (PubChem CID 159107525) has the molecular formula C190H134N4OS4 and a molecular weight of 2617.46 g/mol. Its IUPAC name is 2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine.

Molecular Properties

Compound Name2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine
PubChem CID159107525
Molecular FormulaC190H134N4OS4
Molecular Weight2617.46 g/mol
Exact Mass2614.94
IUPAC Name2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-c5cccc6oc7ccccc7c56)ccc3CSC4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc3CSC4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc3CSC4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)ccc3CSC4)c2)cc1
InChIInChI=1S/C50H36S.C49H35NS.C48H34N2S.C43H29NOS/c1-5-13-35(14-6-1)43-25-44(36-15-7-2-8-16-36)28-47(27-43)39-21-23-41-33-51-34-42-24-22-40(32-50(42)49(41)31-39)48-29-45(37-17-9-3-10-18-37)26-46(30-48)38-19-11-4-12-20-38;1-5-13-34(14-6-1)42-25-43(35-15-7-2-8-16-35)27-44(26-42)38-21-23-40-32-51-33-41-24-22-39(29-47(41)46(40)28-38)45-30-48(36-17-9-3-10-18-36)50-49(31-45)37-19-11-4-12-20-37;1-3-9-33(10-4-1)41-21-42(34-11-5-2-6-12-34)23-43(22-41)35-15-17-39-31-51-32-40-18-16-36(28-48(40)47(39)27-35)44-24-45(37-13-7-19-49-29-37)26-46(25-44)38-14-8-20-50-30-38;1-3-10-28(11-4-1)39-24-34(25-40(44-39)29-12-5-2-6-13-29)30-18-20-32-26-46-27-33-21-19-31(23-38(33)37(32)22-30)35-15-9-17-42-43(35)36-14-7-8-16-41(36)45-42/h1-32H,33-34H2;1-31H,32-33H2;1-30H,31-32H2;1-25H,26-27H2
InChIKeyKEBPXNPVCVVGJH-UHFFFAOYSA-N
XLogP52.56
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms199
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002617.46
LogP ≤ 552.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine with MolForge

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Related Compounds

5-[(E)-2-dibenzofuran-2-ylethenyl]-12,13-dimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20,22,24-undecaene;trifluoromethanesulfonate
CID 126738796
5-[(E)-2-dibenzofuran-4-ylethenyl]-12,13-dimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20,22,24-undecaene;trifluoromethanesulfonate
CID 126738800
7-[(E)-2-dibenzofuran-4-ylethenyl]-12,13-dimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3,5,7,12,17(26),18,20,22,24-undecaene;trifluoromethanesulfonate
CID 126738854
5-[(E)-2-dibenzofuran-4-ylethenyl]-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20,22,24-undecaene;trifluoromethanesulfonate
CID 126738871
5-[(E)-2-dibenzofuran-4-ylethenyl]-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene;trifluoromethanesulfonate
CID 126738884
2-[4-[18-Cyclohexa-1,3-dien-1-yl-15-(3-fluorocyclohexa-1,3-dien-1-yl)-15-(3-fluorophenyl)-3-oxa-12-thiahexacyclo[12.11.0.02,10.04,9.016,25.019,24]pentacosa-1(14),2(10),4,6,8,17,19,21,23-nonaen-11-yl]phenyl]pyridine
CID 163946605
2-[7-Fluoro-3-methyl-6-[2-methyl-4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849171
2-[6-[4-(3-Cyclohexylphenyl)phenyl]-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849197
2-[7-Fluoro-3-methyl-6-[4-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-1-methyl-5-phenylpyridin-1-ium
CID 164849243
2-[7-Fluoro-3-methyl-6-(4-methyl-3-phenylphenyl)dibenzofuran-4-yl]-1-methyl-5-phenylpyridin-1-ium
CID 164849258
2-[7-Fluoro-3-methyl-6-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849267
2-[7-Fluoro-3-methyl-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849292

Frequently Asked Questions

What is the IUPAC name of 2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine?
The IUPAC name of 2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine (CID 159107525) is 2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine.
What is the SMILES notation for 2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine?
The canonical SMILES for 2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine is c1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-c5cccc6oc7ccccc7c56)ccc3CSC4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc3CSC4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)ccc3CSC4)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)ccc3CSC4)c2)cc1.
What is the InChIKey of 2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine?
The InChIKey is KEBPXNPVCVVGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36S.C49H35NS.C48H34N2S.C43H29NOS/c1-5-13-35(14-6-1)43-25-44(36-15-7-2-8-16-36)28-47(27-43)39-21-23-41-33-51-34-42-24-22-40(32-50(42)49(41)31-39)48-29-45(37-17-9-3-10-18-37)26-46(30-48)38-19-11-4-12-20-38;1-5-13-34(14-6-1)42-25-43(35-15-7-2-8-16-35)27-44(26-42)38-21-23-40-32-51-33-41-24-22-39(29-47(41)46(40)28-38)45-30-48(36-17-9-3-10-18-36)50-49(31-45)37-19-11-4-12-20-37;1-3-9-33(10-4-1)41-21-42(34-11-5-2-6-12-34)23-43(22-41)35-15-17-39-31-51-32-40-18-16-36(28-48(40)47(39)27-35)44-24-45(37-13-7-19-49-29-37)26-46(25-44)38-14-8-20-50-30-38;1-3-10-28(11-4-1)39-24-34(25-40(44-39)29-12-5-2-6-13-29)30-18-20-32-26-46-27-33-21-19-31(23-38(33)37(32)22-30)35-15-9-17-42-43(35)36-14-7-8-16-41(36)45-42/h1-32H,33-34H2;1-31H,32-33H2;1-30H,31-32H2;1-25H,26-27H2.
What are the key properties of 2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine?
2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine has a molecular weight of 2617.46 g/mol, XLogP of 52.56, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-bis(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine;4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-2,6-diphenylpyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-2-yl]-5-pyridin-3-ylphenyl]pyridine is sourced from PubChem (CID 159107525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).