2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine

C44H41N3S — CID 155058663

IUPAC2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine
SMILESCC1C=CC2=C(C1)C(C1=CC=CCC1)(c1cccc(-c3nc(C4=CC=CCC4)nc(-c4cc5ccccc5s4)n3)c1)C1=C2C(C)CCC1
InChIInChI=1S/C44H41N3S/c1-28-23-24-35-37(25-28)44(33-18-7-4-8-19-33,36-21-11-13-29(2)40(35)36)34-20-12-17-32(26-34)42-45-41(30-14-5-3-6-15-30)46-43(47-42)39-27-31-16-9-10-22-38(31)48-39/h3-5,7,9-10,12,14,16-18,20,22-24,26-29H,6,8,11,13,15,19,21,25H2,1-2H3
InChIKeyNNJHXUAPOIAPOH-UHFFFAOYSA-N
MW643.90 g/mol
LogP11.69
Rot. Bonds5

About 2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine

2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine (PubChem CID 155058663) has the molecular formula C44H41N3S and a molecular weight of 643.90 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine
PubChem CID155058663
Molecular FormulaC44H41N3S
Molecular Weight643.90 g/mol
Exact Mass643.30
IUPAC Name2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine
SMILESCC1C=CC2=C(C1)C(C1=CC=CCC1)(c1cccc(-c3nc(C4=CC=CCC4)nc(-c4cc5ccccc5s4)n3)c1)C1=C2C(C)CCC1
InChIInChI=1S/C44H41N3S/c1-28-23-24-35-37(25-28)44(33-18-7-4-8-19-33,36-21-11-13-29(2)40(35)36)34-20-12-17-32(26-34)42-45-41(30-14-5-3-6-15-30)46-43(47-42)39-27-31-16-9-10-22-38(31)48-39/h3-5,7,9-10,12,14,16-18,20,22-24,26-29H,6,8,11,13,15,19,21,25H2,1-2H3
InChIKeyNNJHXUAPOIAPOH-UHFFFAOYSA-N
XLogP11.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.90
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-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

9-cyclohexa-1,3-dien-1-yl-2-methyl-9-phenyl-1,2-dihydrofluorene
CID 142567565
2-cyclohexa-1,3-dien-1-yl-4-[3-[8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 130439927
6-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-dimethyl-7-phenyl-1,2,8,9-tetrahydroindolo[2,3-c]quinoline
CID 146481040
2-(1-benzothiophen-2-yl)-4-(6,7-dihydrodibenzofuran-3-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine
CID 174359245
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine
CID 142385347
2-(1-benzothiophen-2-yl)-4-phenyl-6-[3-(9-phenyl-1,2-didehydrofluoren-9-yl)phenyl]-1,3,5-triazine
CID 146246127
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134198719
2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 167007661
2-(1-benzothiophen-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146183055
2-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-yl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 163502299
10'-[3-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,2,4b,8a-tetrahydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,18-octaene]
CID 137383558
2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 146246094

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine (CID 155058663) is 2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine is CC1C=CC2=C(C1)C(C1=CC=CCC1)(c1cccc(-c3nc(C4=CC=CCC4)nc(-c4cc5ccccc5s4)n3)c1)C1=C2C(C)CCC1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine?
The InChIKey is NNJHXUAPOIAPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H41N3S/c1-28-23-24-35-37(25-28)44(33-18-7-4-8-19-33,36-21-11-13-29(2)40(35)36)34-20-12-17-32(26-34)42-45-41(30-14-5-3-6-15-30)46-43(47-42)39-27-31-16-9-10-22-38(31)48-39/h3-5,7,9-10,12,14,16-18,20,22-24,26-29H,6,8,11,13,15,19,21,25H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine?
2-(1-benzothiophen-2-yl)-4-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine has a molecular weight of 643.90 g/mol, XLogP of 11.69, 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-cyclohexa-1,3-dien-1-yl-6-[3-(9-cyclohexa-1,3-dien-1-yl-4,7-dimethyl-1,2,3,4,7,8-hexahydrofluoren-9-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 155058663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).