ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide

C52H43IN4 — CID 143486364

IUPACethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide
SMILESC=C1c2ccccc2-c2nc3c(n2C1c1ccc2cc(-c4ccc5cc(C6Nc7ccccc7N6c6ccccc6)ccc5c4)ccc2c1)C=CC=CC3.CC.I
InChIInChI=1S/C50H36N4.C2H6.HI/c1-32-42-14-8-9-15-43(42)50-52-45-16-6-3-7-18-47(45)54(50)48(32)39-26-24-35-28-33(20-22-37(35)30-39)34-21-23-38-31-40(27-25-36(38)29-34)49-51-44-17-10-11-19-46(44)53(49)41-12-4-2-5-13-41;1-2;/h2-15,17-31,48-49,51H,1,16H2;1-2H3;1H
InChIKeyCAYIKLNYTWPHHP-UHFFFAOYSA-N
MW850.85 g/mol
LogP14.17
Rot. Bonds4

About ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide

ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide (PubChem CID 143486364) has the molecular formula C52H43IN4 and a molecular weight of 850.85 g/mol. Its IUPAC name is ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide.

Molecular Properties

Compound Nameethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide
PubChem CID143486364
Molecular FormulaC52H43IN4
Molecular Weight850.85 g/mol
Exact Mass850.25
IUPAC Nameethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide
SMILESC=C1c2ccccc2-c2nc3c(n2C1c1ccc2cc(-c4ccc5cc(C6Nc7ccccc7N6c6ccccc6)ccc5c4)ccc2c1)C=CC=CC3.CC.I
InChIInChI=1S/C50H36N4.C2H6.HI/c1-32-42-14-8-9-15-43(42)50-52-45-16-6-3-7-18-47(45)54(50)48(32)39-26-24-35-28-33(20-22-37(35)30-39)34-21-23-38-31-40(27-25-36(38)29-34)49-51-44-17-10-11-19-46(44)53(49)41-12-4-2-5-13-41;1-2;/h2-15,17-31,48-49,51H,1,16H2;1-2H3;1H
InChIKeyCAYIKLNYTWPHHP-UHFFFAOYSA-N
XLogP14.17
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.85
LogP ≤ 514.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide with MolForge

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Related Compounds

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CID 146413990
15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
CID 129262709
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CID 170061747
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CID 170281725
2-[4-[10-[(1S)-2-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl]-9-(2-phenylphenyl)-4a,10-dihydroanthracen-2-yl]phenyl]-3-phenyl-1,2-dihydrobenzimidazole
CID 167282120
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CID 130241480
3-phenyl-2-[3-[4-[3-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-1,2-dihydrobenzimidazole
CID 170065802

Frequently Asked Questions

What is the IUPAC name of ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide?
The IUPAC name of ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide (CID 143486364) is ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide.
What is the SMILES notation for ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide?
The canonical SMILES for ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide is C=C1c2ccccc2-c2nc3c(n2C1c1ccc2cc(-c4ccc5cc(C6Nc7ccccc7N6c6ccccc6)ccc5c4)ccc2c1)C=CC=CC3.CC.I.
What is the InChIKey of ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide?
The InChIKey is CAYIKLNYTWPHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N4.C2H6.HI/c1-32-42-14-8-9-15-43(42)50-52-45-16-6-3-7-18-47(45)54(50)48(32)39-26-24-35-28-33(20-22-37(35)30-39)34-21-23-38-31-40(27-25-36(38)29-34)49-51-44-17-10-11-19-46(44)53(49)41-12-4-2-5-13-41;1-2;/h2-15,17-31,48-49,51H,1,16H2;1-2H3;1H.
What are the key properties of ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide?
ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide has a molecular weight of 850.85 g/mol, XLogP of 14.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide is sourced from PubChem (CID 143486364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).