3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine

C136H83N9S3 — CID 161245000

IUPAC3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3c3nnc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)n43)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3c3nnc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)n43)c2)cc1.c1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nnc(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)n54)cc3)cccc2c1
InChIInChI=1S/C48H29N3S.2C44H27N3S/c1-2-11-36-31(9-1)10-7-15-37(36)32-21-19-30(20-22-32)35-27-28-44-43(29-35)39-12-3-4-14-42(39)48-50-49-47(51(44)48)34-25-23-33(24-26-34)38-16-8-17-41-40-13-5-6-18-45(40)52-46(38)41;1-2-10-28(11-3-1)31-12-8-13-32(26-31)33-24-25-40-39(27-33)35-14-4-5-16-38(35)44-46-45-43(47(40)44)30-22-20-29(21-23-30)34-17-9-18-37-36-15-6-7-19-41(36)48-42(34)37;1-2-9-28(10-3-1)29-17-19-30(20-18-29)33-25-26-40-39(27-33)35-11-4-5-13-38(35)44-46-45-43(47(40)44)32-23-21-31(22-24-32)34-14-8-15-37-36-12-6-7-16-41(36)48-42(34)37/h1-29H;2*1-27H
InChIKeyVANASBLEMJSRCC-UHFFFAOYSA-N
MW1939.42 g/mol
LogP37.37
Rot. Bonds12

About 3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine

3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine (PubChem CID 161245000) has the molecular formula C136H83N9S3 and a molecular weight of 1939.42 g/mol. Its IUPAC name is 3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine.

Molecular Properties

Compound Name3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
PubChem CID161245000
Molecular FormulaC136H83N9S3
Molecular Weight1939.42 g/mol
Exact Mass1937.59
IUPAC Name3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3c3nnc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)n43)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3c3nnc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)n43)c2)cc1.c1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nnc(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)n54)cc3)cccc2c1
InChIInChI=1S/C48H29N3S.2C44H27N3S/c1-2-11-36-31(9-1)10-7-15-37(36)32-21-19-30(20-22-32)35-27-28-44-43(29-35)39-12-3-4-14-42(39)48-50-49-47(51(44)48)34-25-23-33(24-26-34)38-16-8-17-41-40-13-5-6-18-45(40)52-46(38)41;1-2-10-28(11-3-1)31-12-8-13-32(26-31)33-24-25-40-39(27-33)35-14-4-5-16-38(35)44-46-45-43(47(40)44)30-22-20-29(21-23-30)34-17-9-18-37-36-15-6-7-19-41(36)48-42(34)37;1-2-9-28(10-3-1)29-17-19-30(20-18-29)33-25-26-40-39(27-33)35-11-4-5-13-38(35)44-46-45-43(47(40)44)32-23-21-31(22-24-32)34-14-8-15-37-36-12-6-7-16-41(36)48-42(34)37/h1-29H;2*1-27H
InChIKeyVANASBLEMJSRCC-UHFFFAOYSA-N
XLogP37.37
TPSA90.57 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001939.42
LogP ≤ 537.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine with MolForge

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Related Compounds

7-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-phenyl-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068572
3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine
CID 158714430
3-(3-dibenzothiophen-4-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;methane
CID 157421911
3-(4-dibenzothiophen-4-ylphenyl)-6-naphthalen-1-yl-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58069029
4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene
CID 157203788
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine
CID 139441649
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
3-(4-iodophenyl)-7-(2-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068777
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156604

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The IUPAC name of 3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine (CID 161245000) is 3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine.
What is the SMILES notation for 3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The canonical SMILES for 3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine is c1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3c3nnc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)n43)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3c3nnc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)n43)c2)cc1.c1ccc2c(-c3ccc(-c4ccc5c(c4)c4ccccc4c4nnc(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)n54)cc3)cccc2c1.
What is the InChIKey of 3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The InChIKey is VANASBLEMJSRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3S.2C44H27N3S/c1-2-11-36-31(9-1)10-7-15-37(36)32-21-19-30(20-22-32)35-27-28-44-43(29-35)39-12-3-4-14-42(39)48-50-49-47(51(44)48)34-25-23-33(24-26-34)38-16-8-17-41-40-13-5-6-18-45(40)52-46(38)41;1-2-10-28(11-3-1)31-12-8-13-32(26-31)33-24-25-40-39(27-33)35-14-4-5-16-38(35)44-46-45-43(47(40)44)30-22-20-29(21-23-30)34-17-9-18-37-36-15-6-7-19-41(36)48-42(34)37;1-2-9-28(10-3-1)29-17-19-30(20-18-29)33-25-26-40-39(27-33)35-11-4-5-13-38(35)44-46-45-43(47(40)44)32-23-21-31(22-24-32)34-14-8-15-37-36-12-6-7-16-41(36)48-42(34)37/h1-29H;2*1-27H.
What are the key properties of 3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine has a molecular weight of 1939.42 g/mol, XLogP of 37.37, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzothiophen-4-ylphenyl)-7-(4-naphthalen-1-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(3-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzothiophen-4-ylphenyl)-7-(4-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine is sourced from PubChem (CID 161245000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).