11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene

C37H26N2 — CID 118489067

IUPAC11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene
SMILESCC1(C)c2cccnc2-c2c1cc(-c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1cccnc21
InChIInChI=1S/C37H26N2/c1-37(2)30-19-11-21-39-36(30)34-31(37)22-29(28-18-10-20-38-35(28)34)33-26-16-8-6-14-24(26)32(23-12-4-3-5-13-23)25-15-7-9-17-27(25)33/h3-22H,1-2H3
InChIKeyLMYCJSCYWHPDMM-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.58
Rot. Bonds2

About 11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene

11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene (PubChem CID 118489067) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene.

Molecular Properties

Compound Name11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene
PubChem CID118489067
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene
SMILESCC1(C)c2cccnc2-c2c1cc(-c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1cccnc21
InChIInChI=1S/C37H26N2/c1-37(2)30-19-11-21-39-36(30)34-31(37)22-29(28-18-10-20-38-35(28)34)33-26-16-8-6-14-24(26)32(23-12-4-3-5-13-23)25-15-7-9-17-27(25)33/h3-22H,1-2H3
InChIKeyLMYCJSCYWHPDMM-UHFFFAOYSA-N
XLogP9.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene with MolForge

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Related Compounds

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15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene
CID 118489074
10-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]benzo[g]quinoline
CID 59184028
10-phenyl-5-[3-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline
CID 59183400
10-phenyl-5-(2-phenylphenyl)benzo[g]quinoline
CID 59183732
7,7-dimethyl-5-(2-phenanthren-9-yl-10-phenylanthracen-9-yl)benzo[c]fluorene
CID 90769656
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CID 58174880
5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 88549809
10-phenyl-5-(3,4,5-trimethylphenyl)benzo[g]quinoline
CID 59183543
5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
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CID 89342054

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene?
The IUPAC name of 11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene (CID 118489067) is 11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene.
What is the SMILES notation for 11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene?
The canonical SMILES for 11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene is CC1(C)c2cccnc2-c2c1cc(-c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1cccnc21.
What is the InChIKey of 11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene?
The InChIKey is LMYCJSCYWHPDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-37(2)30-19-11-21-39-36(30)34-31(37)22-29(28-18-10-20-38-35(28)34)33-26-16-8-6-14-24(26)32(23-12-4-3-5-13-23)25-15-7-9-17-27(25)33/h3-22H,1-2H3.
What are the key properties of 11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene?
11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene has a molecular weight of 498.63 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene is sourced from PubChem (CID 118489067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).