5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole

C59H43N3O2S — CID 174004507

IUPAC5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole
SMILESCC1CCC(c2ccc3sc4ccccc4c3c2)=NC(c2ccc3oc4ccccc4c3c2)NC1C1=CC(n2c3ccccc3c3cc4ccccc4cc32)=CC2c3ccccc3OC12
InChIInChI=1S/C59H43N3O2S/c1-34-22-25-49(37-24-27-56-46(29-37)43-17-7-11-21-55(43)65-56)60-59(38-23-26-54-45(30-38)41-15-5-9-19-52(41)63-54)61-57(34)48-33-39(32-47-42-16-6-10-20-53(42)64-58(47)48)62-50-18-8-4-14-40(50)44-28-35-12-2-3-13-36(35)31-51(44)62/h2-21,23-24,26-34,47,57-59,61H,22,25H2,1H3
InChIKeyWGPVXNNBNRRDEO-UHFFFAOYSA-N
MW858.08 g/mol
LogP15.12
Rot. Bonds4

About 5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole

5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 174004507) has the molecular formula C59H43N3O2S and a molecular weight of 858.08 g/mol. Its IUPAC name is 5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole
PubChem CID174004507
Molecular FormulaC59H43N3O2S
Molecular Weight858.08 g/mol
Exact Mass857.31
IUPAC Name5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole
SMILESCC1CCC(c2ccc3sc4ccccc4c3c2)=NC(c2ccc3oc4ccccc4c3c2)NC1C1=CC(n2c3ccccc3c3cc4ccccc4cc32)=CC2c3ccccc3OC12
InChIInChI=1S/C59H43N3O2S/c1-34-22-25-49(37-24-27-56-46(29-37)43-17-7-11-21-55(43)65-56)60-59(38-23-26-54-45(30-38)41-15-5-9-19-52(41)63-54)61-57(34)48-33-39(32-47-42-16-6-10-20-53(42)64-58(47)48)62-50-18-8-4-14-40(50)44-28-35-12-2-3-13-36(35)31-51(44)62/h2-21,23-24,26-34,47,57-59,61H,22,25H2,1H3
InChIKeyWGPVXNNBNRRDEO-UHFFFAOYSA-N
XLogP15.12
TPSA51.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.08
LogP ≤ 515.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[4-(4-dibenzothiophen-3-yl-7-methyl-2-phenyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 174004516
12-[3-[4,6-di(dibenzothiophen-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 166699377
5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698963
5-[3-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700137
5-[8-(4-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 155042232
5-[3-dibenzothiophen-2-yl-4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430529
5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole
CID 155034514
5-(2-dibenzofuran-2-ylquinazolin-4-yl)benzo[b]carbazole;5-(2-dibenzothiophen-2-ylquinazolin-4-yl)benzo[b]carbazole;5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 161048106
5-[3-(4-carbazol-9-yl-2-dibenzothiophen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 166699790
5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700141
5-[4-(4-dibenzothiophen-2-yl-5-ethyl-6-naphthalen-1-yl-1,4,5,6-tetrahydropyrimidin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699851
3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]cyclohexa-1,5-dien-1-yl]carbazole
CID 163864955

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole (CID 174004507) is 5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole is CC1CCC(c2ccc3sc4ccccc4c3c2)=NC(c2ccc3oc4ccccc4c3c2)NC1C1=CC(n2c3ccccc3c3cc4ccccc4cc32)=CC2c3ccccc3OC12.
What is the InChIKey of 5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is WGPVXNNBNRRDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N3O2S/c1-34-22-25-49(37-24-27-56-46(29-37)43-17-7-11-21-55(43)65-56)60-59(38-23-26-54-45(30-38)41-15-5-9-19-52(41)63-54)61-57(34)48-33-39(32-47-42-16-6-10-20-53(42)64-58(47)48)62-50-18-8-4-14-40(50)44-28-35-12-2-3-13-36(35)31-51(44)62/h2-21,23-24,26-34,47,57-59,61H,22,25H2,1H3.
What are the key properties of 5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole?
5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 858.08 g/mol, XLogP of 15.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-7-methyl-1,2,5,6,7,8-hexahydro-1,3-diazocin-8-yl)-4a,9b-dihydrodibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 174004507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).