2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine

C48H31N3OS — CID 174359245

IUPAC2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine
SMILESC1=Cc2c(oc3cc(-c4nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc(-c5cc6ccccc6s5)n4)ccc23)CC1
InChIInChI=1S/C48H31N3OS/c1-3-14-33(15-4-1)48(34-16-5-2-6-17-34)39-20-10-8-18-35(39)36-25-23-31(27-40(36)48)45-49-46(51-47(50-45)44-29-30-13-7-12-22-43(30)53-44)32-24-26-38-37-19-9-11-21-41(37)52-42(38)28-32/h1-10,12-20,22-29H,11,21H2
InChIKeyRSVUMAMHFSWLIQ-UHFFFAOYSA-N
MW697.86 g/mol
LogP12.16
Rot. Bonds5

About 2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine

2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine (PubChem CID 174359245) has the molecular formula C48H31N3OS and a molecular weight of 697.86 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine
PubChem CID174359245
Molecular FormulaC48H31N3OS
Molecular Weight697.86 g/mol
Exact Mass697.22
IUPAC Name2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine
SMILESC1=Cc2c(oc3cc(-c4nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc(-c5cc6ccccc6s5)n4)ccc23)CC1
InChIInChI=1S/C48H31N3OS/c1-3-14-33(15-4-1)48(34-16-5-2-6-17-34)39-20-10-8-18-35(39)36-25-23-31(27-40(36)48)45-49-46(51-47(50-45)44-29-30-13-7-12-22-43(30)53-44)32-24-26-38-37-19-9-11-21-41(37)52-42(38)28-32/h1-10,12-20,22-29H,11,21H2
InChIKeyRSVUMAMHFSWLIQ-UHFFFAOYSA-N
XLogP12.16
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.86
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 146246094
2-[4-(1-benzothiophen-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 146183519
2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 147385970
2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 153368812
2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 153369668
2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine)
CID 162163419
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582
2,4-di(dibenzothiophen-1-yl)-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002565
4-[4-(4-dibenzofuran-3-ylnaphthalen-1-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603662
2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146186752
2-dibenzofuran-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821113
2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002415

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine (CID 174359245) is 2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine is C1=Cc2c(oc3cc(-c4nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc(-c5cc6ccccc6s5)n4)ccc23)CC1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine?
The InChIKey is RSVUMAMHFSWLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3OS/c1-3-14-33(15-4-1)48(34-16-5-2-6-17-34)39-20-10-8-18-35(39)36-25-23-31(27-40(36)48)45-49-46(51-47(50-45)44-29-30-13-7-12-22-43(30)53-44)32-24-26-38-37-19-9-11-21-41(37)52-42(38)28-32/h1-10,12-20,22-29H,11,21H2.
What are the key properties of 2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine?
2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine has a molecular weight of 697.86 g/mol, XLogP of 12.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 174359245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).