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

C157H104N2O15 — CID 160753548

IUPAC3-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
SMILESCC1(C)Oc2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2cc(-c3ccc4c(c3)oc3ccccc34)ccc2O1.CC1(C)Oc2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2O1.CC1(C)Oc2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2cc(-c3cccc4c3oc3ccccc34)ccc2O1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1ccc(-c3ccc4oc5ccccc5c4c3)cc1OC(C)(C)O2
InChIInChI=1S/C40H26N2O3.3C39H26O4/c1-40(2)44-38-19-15-27(42-34-10-6-4-8-28(34)31-22-26(41-3)14-17-35(31)42)23-33(38)30-16-12-25(21-39(30)45-40)24-13-18-37-32(20-24)29-9-5-7-11-36(29)43-37;1-39(2)42-36-19-16-25(26-10-7-11-30-27-8-3-6-13-34(27)41-38(26)30)21-32(36)29-17-14-24(22-37(29)43-39)23-15-18-35-31(20-23)28-9-4-5-12-33(28)40-35;1-39(2)42-36-18-14-24(25-11-15-29-27-7-3-5-9-33(27)41-37(29)21-25)20-32(36)30-16-12-26(22-38(30)43-39)23-13-17-35-31(19-23)28-8-4-6-10-34(28)40-35;1-39(2)42-37-18-14-24(23-12-16-35-30(19-23)27-7-3-5-9-33(27)40-35)21-32(37)29-15-11-26(22-38(29)43-39)25-13-17-36-31(20-25)28-8-4-6-10-34(28)41-36/h4-23H,1-2H3;3*3-22H,1-2H3
InChIKeyRXDCPRMPZZSTME-UHFFFAOYSA-N
MW2258.56 g/mol
LogP44.06
Rot. Bonds8

About 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

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 (PubChem CID 160753548) has the molecular formula C157H104N2O15 and a molecular weight of 2258.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID160753548
Molecular FormulaC157H104N2O15
Molecular Weight2258.56 g/mol
Exact Mass2256.74
IUPAC Name3-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
SMILESCC1(C)Oc2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2cc(-c3ccc4c(c3)oc3ccccc34)ccc2O1.CC1(C)Oc2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2O1.CC1(C)Oc2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2cc(-c3cccc4c3oc3ccccc34)ccc2O1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1ccc(-c3ccc4oc5ccccc5c4c3)cc1OC(C)(C)O2
InChIInChI=1S/C40H26N2O3.3C39H26O4/c1-40(2)44-38-19-15-27(42-34-10-6-4-8-28(34)31-22-26(41-3)14-17-35(31)42)23-33(38)30-16-12-25(21-39(30)45-40)24-13-18-37-32(20-24)29-9-5-7-11-36(29)43-37;1-39(2)42-36-19-16-25(26-10-7-11-30-27-8-3-6-13-34(27)41-38(26)30)21-32(36)29-17-14-24(22-37(29)43-39)23-15-18-35-31(20-23)28-9-4-5-12-33(28)40-35;1-39(2)42-36-18-14-24(25-11-15-29-27-7-3-5-9-33(27)41-37(29)21-25)20-32(36)30-16-12-26(22-38(30)43-39)23-13-17-35-31(19-23)28-8-4-6-10-34(28)40-35;1-39(2)42-37-18-14-24(23-12-16-35-30(19-23)27-7-3-5-9-33(27)40-35)21-32(37)29-15-11-26(22-38(29)43-39)25-13-17-36-31(20-25)28-8-4-6-10-34(28)41-36/h4-23H,1-2H3;3*3-22H,1-2H3
InChIKeyRXDCPRMPZZSTME-UHFFFAOYSA-N
XLogP44.06
TPSA175.11 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002258.56
LogP ≤ 544.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
3-dibenzofuran-3-yl-10-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441856
9-(2-carbazol-9-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-10-yl)-3,6-diisocyanocarbazole
CID 140727865
10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441902
9-(10-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-2-yl)carbazole-3-carbonitrile
CID 121443230
9-(6-dibenzofuran-3-yldibenzofuran-2-yl)carbazole
CID 146558798
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
9-(10-dibenzofuran-3-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile
CID 121443232
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
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-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)Oc2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2cc(-c3ccc4c(c3)oc3ccccc34)ccc2O1.CC1(C)Oc2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2O1.CC1(C)Oc2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2cc(-c3cccc4c3oc3ccccc34)ccc2O1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1ccc(-c3ccc4oc5ccccc5c4c3)cc1OC(C)(C)O2.
What is the InChIKey of 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?
The InChIKey is RXDCPRMPZZSTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O3.3C39H26O4/c1-40(2)44-38-19-15-27(42-34-10-6-4-8-28(34)31-22-26(41-3)14-17-35(31)42)23-33(38)30-16-12-25(21-39(30)45-40)24-13-18-37-32(20-24)29-9-5-7-11-36(29)43-37;1-39(2)42-36-19-16-25(26-10-7-11-30-27-8-3-6-13-34(27)41-38(26)30)21-32(36)29-17-14-24(22-37(29)43-39)23-15-18-35-31(20-23)28-9-4-5-12-33(28)40-35;1-39(2)42-36-18-14-24(25-11-15-29-27-7-3-5-9-33(27)41-37(29)21-25)20-32(36)30-16-12-26(22-38(30)43-39)23-13-17-35-31(19-23)28-8-4-6-10-34(28)40-35;1-39(2)42-37-18-14-24(23-12-16-35-30(19-23)27-7-3-5-9-33(27)40-35)21-32(37)29-15-11-26(22-38(29)43-39)25-13-17-36-31(20-25)28-8-4-6-10-34(28)41-36/h4-23H,1-2H3;3*3-22H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2258.56 g/mol, XLogP of 44.06, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160753548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).