11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole

C43H26N4S — CID 146541392

IUPAC11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3sc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C43H26N4S/c1-3-14-28(15-4-1)41-44-42(33-22-11-16-27-13-7-8-19-30(27)33)46-43(45-41)35-23-12-21-31-32-25-26-37-38(40(32)48-39(31)35)34-20-9-10-24-36(34)47(37)29-17-5-2-6-18-29/h1-26H
InChIKeyYDVHHHPJGWRHBT-UHFFFAOYSA-N
MW630.78 g/mol
LogP11.49
Rot. Bonds4

About 11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole

11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 146541392) has the molecular formula C43H26N4S and a molecular weight of 630.78 g/mol. Its IUPAC name is 11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID146541392
Molecular FormulaC43H26N4S
Molecular Weight630.78 g/mol
Exact Mass630.19
IUPAC Name11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3sc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C43H26N4S/c1-3-14-28(15-4-1)41-44-42(33-22-11-16-27-13-7-8-19-30(27)33)46-43(45-41)35-23-12-21-31-32-25-26-37-38(40(32)48-39(31)35)34-20-9-10-24-36(34)47(37)29-17-5-2-6-18-29/h1-26H
InChIKeyYDVHHHPJGWRHBT-UHFFFAOYSA-N
XLogP11.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.78
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 122501672
10-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;11-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 159662638
11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 171591411
7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166915327
9-[4-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 169307270
3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154602092
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 155473781
9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-18-thia-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 134183980
5-[2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 164962109
8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylphenyl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 147664565
10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 153460399
12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 163934459

Frequently Asked Questions

What is the IUPAC name of 11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole (CID 146541392) is 11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3sc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is YDVHHHPJGWRHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4S/c1-3-14-28(15-4-1)41-44-42(33-22-11-16-27-13-7-8-19-30(27)33)46-43(45-41)35-23-12-21-31-32-25-26-37-38(40(32)48-39(31)35)34-20-9-10-24-36(34)47(37)29-17-5-2-6-18-29/h1-26H.
What are the key properties of 11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 630.78 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 146541392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).