9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole

C156H96N8O4S4 — CID 159458201

IUPAC9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3ccc4c(c3)oc3ccccc34)ccc1CSC2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3ccc4oc5ccccc5c4c3)ccc1CSC2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3cccc4c3oc3ccccc34)ccc1CSC2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3cccc4oc5ccccc5c34)ccc1CSC2
InChIInChI=1S/4C39H24N2OS/c1-40-27-16-18-37-35(20-27)30-7-2-4-11-36(30)41(37)28-17-15-26-23-43-22-25-14-13-24(19-33(25)34(26)21-28)29-9-6-10-32-31-8-3-5-12-38(31)42-39(29)32;1-40-27-16-18-36-34(20-27)30-7-2-4-10-35(30)41(36)28-17-15-26-23-43-22-25-14-13-24(19-32(25)33(26)21-28)29-9-6-12-38-39(29)31-8-3-5-11-37(31)42-38;1-40-28-14-16-37-34(20-28)30-6-2-4-8-36(30)41(37)29-15-12-27-23-43-22-26-11-10-24(18-32(26)33(27)21-29)25-13-17-39-35(19-25)31-7-3-5-9-38(31)42-39;1-40-28-14-17-37-35(20-28)30-6-2-4-8-36(30)41(37)29-15-12-27-23-43-22-26-11-10-24(18-33(26)34(27)21-29)25-13-16-32-31-7-3-5-9-38(31)42-39(32)19-25/h4*2-21H,22-23H2
InChIKeyLUGDDWKFVLHLOQ-UHFFFAOYSA-N
MW2274.80 g/mol
LogP45.26
Rot. Bonds8

About 9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole

9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole (PubChem CID 159458201) has the molecular formula C156H96N8O4S4 and a molecular weight of 2274.80 g/mol. Its IUPAC name is 9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole.

Molecular Properties

Compound Name9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole
PubChem CID159458201
Molecular FormulaC156H96N8O4S4
Molecular Weight2274.80 g/mol
Exact Mass2272.64
IUPAC Name9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3ccc4c(c3)oc3ccccc34)ccc1CSC2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3ccc4oc5ccccc5c4c3)ccc1CSC2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3cccc4c3oc3ccccc34)ccc1CSC2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3cccc4oc5ccccc5c34)ccc1CSC2
InChIInChI=1S/4C39H24N2OS/c1-40-27-16-18-37-35(20-27)30-7-2-4-11-36(30)41(37)28-17-15-26-23-43-22-25-14-13-24(19-33(25)34(26)21-28)29-9-6-10-32-31-8-3-5-12-38(31)42-39(29)32;1-40-27-16-18-36-34(20-27)30-7-2-4-10-35(30)41(36)28-17-15-26-23-43-22-25-14-13-24(19-32(25)33(26)21-28)29-9-6-12-38-39(29)31-8-3-5-11-37(31)42-38;1-40-28-14-16-37-34(20-28)30-6-2-4-8-36(30)41(37)29-15-12-27-23-43-22-26-11-10-24(18-32(26)33(27)21-29)25-13-17-39-35(19-25)31-7-3-5-9-38(31)42-39;1-40-28-14-17-37-35(20-28)30-6-2-4-8-36(30)41(37)29-15-12-27-23-43-22-26-11-10-24(18-33(26)34(27)21-29)25-13-16-32-31-7-3-5-9-38(31)42-39(32)19-25/h4*2-21H,22-23H2
InChIKeyLUGDDWKFVLHLOQ-UHFFFAOYSA-N
XLogP45.26
TPSA89.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002274.80
LogP ≤ 545.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole with MolForge

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Related Compounds

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
3-dibenzofuran-2-yl-10-dibenzofuran-3-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-2-yl-10-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine;9-(3-dibenzofuran-2-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-10-yl)-3-isocyanocarbazole;3,10-di(dibenzofuran-2-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 160753548
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
9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole
CID 121441427
9-(6-dibenzofuran-3-yldibenzofuran-2-yl)carbazole
CID 146558798
3-dibenzofuran-1-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-3-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158822227
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
3-(4-carbazol-9-ylphenyl)-6-isocyano-9-naphthalen-2-ylcarbazole;2-dibenzofuran-4-yl-9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole;2-dibenzofuran-4-yl-9-[4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158487434
3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 159582452
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158642416
9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile
CID 121443034
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395

Frequently Asked Questions

What is the IUPAC name of 9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole?
The IUPAC name of 9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole (CID 159458201) is 9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole.
What is the SMILES notation for 9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole?
The canonical SMILES for 9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3ccc4c(c3)oc3ccccc34)ccc1CSC2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3ccc4oc5ccccc5c4c3)ccc1CSC2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3cccc4c3oc3ccccc34)ccc1CSC2.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-c3cccc4oc5ccccc5c34)ccc1CSC2.
What is the InChIKey of 9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole?
The InChIKey is LUGDDWKFVLHLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C39H24N2OS/c1-40-27-16-18-37-35(20-27)30-7-2-4-11-36(30)41(37)28-17-15-26-23-43-22-25-14-13-24(19-33(25)34(26)21-28)29-9-6-10-32-31-8-3-5-12-38(31)42-39(29)32;1-40-27-16-18-36-34(20-27)30-7-2-4-10-35(30)41(36)28-17-15-26-23-43-22-25-14-13-24(19-32(25)33(26)21-28)29-9-6-12-38-39(29)31-8-3-5-11-37(31)42-38;1-40-28-14-16-37-34(20-28)30-6-2-4-8-36(30)41(37)29-15-12-27-23-43-22-26-11-10-24(18-32(26)33(27)21-29)25-13-17-39-35(19-25)31-7-3-5-9-38(31)42-39;1-40-28-14-17-37-35(20-28)30-6-2-4-8-36(30)41(37)29-15-12-27-23-43-22-26-11-10-24(18-33(26)34(27)21-29)25-13-16-32-31-7-3-5-9-38(31)42-39(32)19-25/h4*2-21H,22-23H2.
What are the key properties of 9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole?
9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole has a molecular weight of 2274.80 g/mol, XLogP of 45.26, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole is sourced from PubChem (CID 159458201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).