2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene

C49H30N2S2 — CID 59211467

IUPAC2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5nc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6n5c4)s3)s2)cc1
InChIInChI=1S/C49H30N2S2/c1-2-12-33(13-3-1)41-23-25-43(52-41)44-26-24-42(53-44)38-22-27-45-50-48-46(36-20-18-31-10-4-6-14-34(31)28-36)39-16-8-9-17-40(39)47(49(48)51(45)30-38)37-21-19-32-11-5-7-15-35(32)29-37/h1-30H
InChIKeyCBMOAGPXJUDOCZ-UHFFFAOYSA-N
MW710.93 g/mol
LogP14.41
Rot. Bonds5

About 2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene

2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene (PubChem CID 59211467) has the molecular formula C49H30N2S2 and a molecular weight of 710.93 g/mol. Its IUPAC name is 2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene.

Molecular Properties

Compound Name2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
PubChem CID59211467
Molecular FormulaC49H30N2S2
Molecular Weight710.93 g/mol
Exact Mass710.19
IUPAC Name2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5nc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6n5c4)s3)s2)cc1
InChIInChI=1S/C49H30N2S2/c1-2-12-33(13-3-1)41-23-25-43(52-41)44-26-24-42(53-44)38-22-27-45-50-48-46(36-20-18-31-10-4-6-14-34(31)28-36)39-16-8-9-17-40(39)47(49(48)51(45)30-38)37-21-19-32-11-5-7-15-35(32)29-37/h1-30H
InChIKeyCBMOAGPXJUDOCZ-UHFFFAOYSA-N
XLogP14.41
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.93
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene with MolForge

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Related Compounds

2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58963498
2-phenyl-5-[3-[10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]thiophene
CID 58876046
13-(2,3-dihydronaphthalen-2-yl)-2,9-dinaphthalen-2-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
CID 163838453
2-[3-[10-[6-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58876218
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene
CID 58963478
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole
CID 67729186
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431

Frequently Asked Questions

What is the IUPAC name of 2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The IUPAC name of 2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene (CID 59211467) is 2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene.
What is the SMILES notation for 2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The canonical SMILES for 2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene is c1ccc(-c2ccc(-c3ccc(-c4ccc5nc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6n5c4)s3)s2)cc1.
What is the InChIKey of 2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The InChIKey is CBMOAGPXJUDOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2S2/c1-2-12-33(13-3-1)41-23-25-43(52-41)44-26-24-42(53-44)38-22-27-45-50-48-46(36-20-18-31-10-4-6-14-34(31)28-36)39-16-8-9-17-40(39)47(49(48)51(45)30-38)37-21-19-32-11-5-7-15-35(32)29-37/h1-30H.
What are the key properties of 2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene has a molecular weight of 710.93 g/mol, XLogP of 14.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dinaphthalen-2-yl-13-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene is sourced from PubChem (CID 59211467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).