5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole

C61H39N3OS — CID 167043343

IUPAC5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
SMILESCC1C/C=C(c2c(-n3c4ccccc4c4cc5ccccc5cc43)ccc3oc4cc5ccccc5cc4c23)\N=C(c2ccc3ccccc3c2)/N=C\1c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C61H39N3OS/c1-36-22-27-50(62-61(44-24-23-37-12-2-3-13-38(37)30-44)63-60(36)43-25-26-47-46-19-9-11-21-56(46)66-57(47)35-43)59-52(28-29-54-58(59)49-32-40-15-5-7-17-42(40)34-55(49)65-54)64-51-20-10-8-18-45(51)48-31-39-14-4-6-16-41(39)33-53(48)64/h2-21,23-36H,22H2,1H3/b50-27-,62-61-,63-60+
InChIKeyCOCIPXOVCURJHA-UEVIYRMMSA-N
MW862.07 g/mol
LogP16.83
Rot. Bonds4

About 5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole

5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole (PubChem CID 167043343) has the molecular formula C61H39N3OS and a molecular weight of 862.07 g/mol. Its IUPAC name is 5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
PubChem CID167043343
Molecular FormulaC61H39N3OS
Molecular Weight862.07 g/mol
Exact Mass861.28
IUPAC Name5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
SMILESCC1C/C=C(c2c(-n3c4ccccc4c4cc5ccccc5cc43)ccc3oc4cc5ccccc5cc4c23)\N=C(c2ccc3ccccc3c2)/N=C\1c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C61H39N3OS/c1-36-22-27-50(62-61(44-24-23-37-12-2-3-13-38(37)30-44)63-60(36)43-25-26-47-46-19-9-11-21-56(46)66-57(47)35-43)59-52(28-29-54-58(59)49-32-40-15-5-7-17-42(40)34-55(49)65-54)64-51-20-10-8-18-45(51)48-31-39-14-4-6-16-41(39)33-53(48)64/h2-21,23-36H,22H2,1H3/b50-27-,62-61-,63-60+
InChIKeyCOCIPXOVCURJHA-UEVIYRMMSA-N
XLogP16.83
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.07
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-1-yl-5,6-dihydro-1,3-diazocin-8-yl]-9H-fluoren-2-yl]benzo[b]carbazole
CID 167043689
12-[2-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-phenyl-5,6-dihydro-1,3-diazocin-8-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155043128
5-[1-[(7E)-5-methyl-2-(3-phenylphenyl)-8-(4-phenylphenyl)-5,6-dihydro-1,3-diazocin-4-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 166700689
5-[3-[(7E)-4-dibenzothiophen-4-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700225
5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 164714845
5-[2-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347592
5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 167043358
12-[3-[(7E)-8-dibenzothiophen-4-yl-5-methyl-2-(9-phenylcarbazol-1-yl)-5,6-dihydro-1,3-diazocin-4-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166699533
5-[10-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163983366
5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 166700326
5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714660
5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714559

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole (CID 167043343) is 5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole is CC1C/C=C(c2c(-n3c4ccccc4c4cc5ccccc5cc43)ccc3oc4cc5ccccc5cc4c23)\N=C(c2ccc3ccccc3c2)/N=C\1c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of 5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole?
The InChIKey is COCIPXOVCURJHA-UEVIYRMMSA-N. The full InChI is InChI=1S/C61H39N3OS/c1-36-22-27-50(62-61(44-24-23-37-12-2-3-13-38(37)30-44)63-60(36)43-25-26-47-46-19-9-11-21-56(46)66-57(47)35-43)59-52(28-29-54-58(59)49-32-40-15-5-7-17-42(40)34-55(49)65-54)64-51-20-10-8-18-45(51)48-31-39-14-4-6-16-41(39)33-53(48)64/h2-21,23-36H,22H2,1H3/b50-27-,62-61-,63-60+.
What are the key properties of 5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole?
5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole has a molecular weight of 862.07 g/mol, XLogP of 16.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 167043343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).