10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine

C48H28N2S — CID 146300765

IUPAC10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3sc4cccc(-c5cccc6ncc7cccnc7c56)c4c3c2)c1
InChIInChI=1S/C48H28N2S/c1-2-14-36-34(12-1)35-13-3-4-15-37(35)41-26-31(20-22-38(36)41)29-9-5-10-30(25-29)32-21-23-44-42(27-32)46-39(17-7-19-45(46)51-44)40-16-6-18-43-47(40)48-33(28-50-43)11-8-24-49-48/h1-28H
InChIKeyAIPMKYJUVYOHPD-UHFFFAOYSA-N
MW664.83 g/mol
LogP13.61
Rot. Bonds3

About 10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine

10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine (PubChem CID 146300765) has the molecular formula C48H28N2S and a molecular weight of 664.83 g/mol. Its IUPAC name is 10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine.

Molecular Properties

Compound Name10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine
PubChem CID146300765
Molecular FormulaC48H28N2S
Molecular Weight664.83 g/mol
Exact Mass664.20
IUPAC Name10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3sc4cccc(-c5cccc6ncc7cccnc7c56)c4c3c2)c1
InChIInChI=1S/C48H28N2S/c1-2-14-36-34(12-1)35-13-3-4-15-37(35)41-26-31(20-22-38(36)41)29-9-5-10-30(25-29)32-21-23-44-42(27-32)46-39(17-7-19-45(46)51-44)40-16-6-18-43-47(40)48-33(28-50-43)11-8-24-49-48/h1-28H
InChIKeyAIPMKYJUVYOHPD-UHFFFAOYSA-N
XLogP13.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.83
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-dibenzothiophen-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
CID 134199441
2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
CID 140946712
10-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
CID 88858573
10-(3-triphenylen-2-ylphenyl)naphtho[2,1-b][1]benzothiole
CID 155401269
2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031
2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 155762434
6-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 177115898
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
2-[3-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)phenyl]-1,10-phenanthroline
CID 121368462
1-(4-methylphenyl)-8-triphenylen-2-yldibenzothiophene
CID 145447926
2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 140946842
2,4-diphenyl-6-(7-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 166952302

Frequently Asked Questions

What is the IUPAC name of 10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine?
The IUPAC name of 10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine (CID 146300765) is 10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine.
What is the SMILES notation for 10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine?
The canonical SMILES for 10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3sc4cccc(-c5cccc6ncc7cccnc7c56)c4c3c2)c1.
What is the InChIKey of 10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine?
The InChIKey is AIPMKYJUVYOHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2S/c1-2-14-36-34(12-1)35-13-3-4-15-37(35)41-26-31(20-22-38(36)41)29-9-5-10-30(25-29)32-21-23-44-42(27-32)46-39(17-7-19-45(46)51-44)40-16-6-18-43-47(40)48-33(28-50-43)11-8-24-49-48/h1-28H.
What are the key properties of 10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine?
10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine has a molecular weight of 664.83 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine is sourced from PubChem (CID 146300765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).