2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine

C43H27N3S — CID 146186744

IUPAC2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)nc(-c3cc4ccccc4s3)n2)cc1
InChIInChI=1S/C43H27N3S/c1-3-13-28(14-4-1)39-33-18-8-10-20-35(33)40(36-21-11-9-19-34(36)39)29-23-25-31(26-24-29)42-44-41(30-15-5-2-6-16-30)45-43(46-42)38-27-32-17-7-12-22-37(32)47-38/h1-27H
InChIKeyRXXOHUUIDMHBKS-UHFFFAOYSA-N
MW617.78 g/mol
LogP11.73
Rot. Bonds5

About 2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine

2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine (PubChem CID 146186744) has the molecular formula C43H27N3S and a molecular weight of 617.78 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
PubChem CID146186744
Molecular FormulaC43H27N3S
Molecular Weight617.78 g/mol
Exact Mass617.19
IUPAC Name2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)nc(-c3cc4ccccc4s3)n2)cc1
InChIInChI=1S/C43H27N3S/c1-3-13-28(14-4-1)39-33-18-8-10-20-35(33)40(36-21-11-9-19-34(36)39)29-23-25-31(26-24-29)42-44-41(30-15-5-2-6-16-30)45-43(46-42)38-27-32-17-7-12-22-37(32)47-38/h1-27H
InChIKeyRXXOHUUIDMHBKS-UHFFFAOYSA-N
XLogP11.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.78
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzothiophen-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146183055
2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146186752
2-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 146183675
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527
2-(1-benzothiophen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146183552
2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 146246095
2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 177278776
2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 146183517
2-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 167412489
2-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1-benzothiophene
CID 59866469
2-(1-benzothiophen-2-yl)-4-naphthalen-2-yl-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine
CID 156562361
2-(1-benzothiophen-2-yl)-4-[2-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 167411775

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine (CID 146186744) is 2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)nc(-c3cc4ccccc4s3)n2)cc1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine?
The InChIKey is RXXOHUUIDMHBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3S/c1-3-13-28(14-4-1)39-33-18-8-10-20-35(33)40(36-21-11-9-19-34(36)39)29-23-25-31(26-24-29)42-44-41(30-15-5-2-6-16-30)45-43(46-42)38-27-32-17-7-12-22-37(32)47-38/h1-27H.
What are the key properties of 2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine?
2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine has a molecular weight of 617.78 g/mol, XLogP of 11.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 146186744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).