(7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine

C65H44N2O — CID 174133293

IUPAC(7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine
SMILESC/C1=C(c2ccc(-c3cccc4ccccc34)cc2)/N=C(c2ccc3cc(-c4cc(-c5ccc6ccccc6c5)cc5oc6ccccc6c45)ccc3c2)\N=C(\c2ccc3ccccc3c2)CC1
InChIInChI=1S/C65H44N2O/c1-41-21-34-60(53-32-23-43-12-3-5-15-48(43)37-53)66-65(67-64(41)46-26-24-45(25-27-46)57-19-10-16-44-13-6-7-17-56(44)57)54-33-30-49-36-52(31-29-50(49)38-54)59-39-55(51-28-22-42-11-2-4-14-47(42)35-51)40-62-63(59)58-18-8-9-20-61(58)68-62/h2-20,22-33,35-40H,21,34H2,1H3/b64-41-,66-60+,67-65-
InChIKeyBPUILCVFQOTUAV-QOZABDSHSA-N
MW869.08 g/mol
LogP17.66
Rot. Bonds6

About (7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine

(7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine (PubChem CID 174133293) has the molecular formula C65H44N2O and a molecular weight of 869.08 g/mol. Its IUPAC name is (7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine.

Molecular Properties

Compound Name(7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine
PubChem CID174133293
Molecular FormulaC65H44N2O
Molecular Weight869.08 g/mol
Exact Mass868.35
IUPAC Name(7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine
SMILESC/C1=C(c2ccc(-c3cccc4ccccc34)cc2)/N=C(c2ccc3cc(-c4cc(-c5ccc6ccccc6c5)cc5oc6ccccc6c45)ccc3c2)\N=C(\c2ccc3ccccc3c2)CC1
InChIInChI=1S/C65H44N2O/c1-41-21-34-60(53-32-23-43-12-3-5-15-48(43)37-53)66-65(67-64(41)46-26-24-45(25-27-46)57-19-10-16-44-13-6-7-17-56(44)57)54-33-30-49-36-52(31-29-50(49)38-54)59-39-55(51-28-22-42-11-2-4-14-47(42)35-51)40-62-63(59)58-18-8-9-20-61(58)68-62/h2-20,22-33,35-40H,21,34H2,1H3/b64-41-,66-60+,67-65-
InChIKeyBPUILCVFQOTUAV-QOZABDSHSA-N
XLogP17.66
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.08
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7E)-2-dibenzofuran-1-yl-8-dibenzofuran-4-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocine
CID 170296058
7-(3-dibenzofuran-1-ylphenyl)-6-methyl-4-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-5H-1,3-diazepine
CID 170295610
6-methyl-2-[6-(7-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-7-(4-naphthalen-2-ylphenyl)-4-phenyl-5H-1,3-diazepine
CID 170296561
2-[(7E)-8-dibenzofuran-3-yl-7-methyl-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-2-yl]benzo[k]phenanthridine
CID 174296515
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742796
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-(4-naphthalen-1-ylphenyl)aniline
CID 176810163
7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine
CID 170301964
2-[4-(3-naphthalen-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177112661
2,4-dinaphthalen-2-yl-6-(8-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166742708
2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 167181759
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165032297

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine?
The IUPAC name of (7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine (CID 174133293) is (7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine.
What is the SMILES notation for (7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine?
The canonical SMILES for (7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine is C/C1=C(c2ccc(-c3cccc4ccccc34)cc2)/N=C(c2ccc3cc(-c4cc(-c5ccc6ccccc6c5)cc5oc6ccccc6c45)ccc3c2)\N=C(\c2ccc3ccccc3c2)CC1.
What is the InChIKey of (7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine?
The InChIKey is BPUILCVFQOTUAV-QOZABDSHSA-N. The full InChI is InChI=1S/C65H44N2O/c1-41-21-34-60(53-32-23-43-12-3-5-15-48(43)37-53)66-65(67-64(41)46-26-24-45(25-27-46)57-19-10-16-44-13-6-7-17-56(44)57)54-33-30-49-36-52(31-29-50(49)38-54)59-39-55(51-28-22-42-11-2-4-14-47(42)35-51)40-62-63(59)58-18-8-9-20-61(58)68-62/h2-20,22-33,35-40H,21,34H2,1H3/b64-41-,66-60+,67-65-.
What are the key properties of (7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine?
(7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine has a molecular weight of 869.08 g/mol, XLogP of 17.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-methyl-4-naphthalen-2-yl-2-[6-(3-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-8-(4-naphthalen-1-ylphenyl)-5,6-dihydro-1,3-diazocine is sourced from PubChem (CID 174133293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).