12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole

C49H28N4OS — CID 164707932

IUPAC12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6ccc7sc8ccccc8c7c65)cccc34)n2)cc1
InChIInChI=1S/C49H28N4OS/c1-3-14-29(15-4-1)47-50-48(30-16-5-2-6-17-30)52-49(51-47)37-28-31-18-7-8-19-32(31)42-36-22-13-24-39(45(36)54-46(37)42)53-38-23-11-9-20-33(38)34-26-27-41-43(44(34)53)35-21-10-12-25-40(35)55-41/h1-28H
InChIKeyMZNUFNMIXFCPOX-UHFFFAOYSA-N
MW720.86 g/mol
LogP13.39
Rot. Bonds4

About 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole

12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole (PubChem CID 164707932) has the molecular formula C49H28N4OS and a molecular weight of 720.86 g/mol. Its IUPAC name is 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole
PubChem CID164707932
Molecular FormulaC49H28N4OS
Molecular Weight720.86 g/mol
Exact Mass720.20
IUPAC Name12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6ccc7sc8ccccc8c7c65)cccc34)n2)cc1
InChIInChI=1S/C49H28N4OS/c1-3-14-29(15-4-1)47-50-48(30-16-5-2-6-17-30)52-49(51-47)37-28-31-18-7-8-19-32(31)42-36-22-13-24-39(45(36)54-46(37)42)53-38-23-11-9-20-33(38)34-26-27-41-43(44(34)53)35-21-10-12-25-40(35)55-41/h1-28H
InChIKeyMZNUFNMIXFCPOX-UHFFFAOYSA-N
XLogP13.39
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.86
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole with MolForge

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Related Compounds

9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707562
12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzothiolo[3,2-a]carbazole
CID 156553486
9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707544
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158544
9-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 165108667
9-[5-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707515
12-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 164960183
9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 168721833
4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[4-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-cyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 138712823
12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzothiol-10-yl]-[1]benzothiolo[3,2-a]carbazole
CID 154968575
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 129292000
12-[3-phenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 154946600

Frequently Asked Questions

What is the IUPAC name of 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole (CID 164707932) is 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6ccc7sc8ccccc8c7c65)cccc34)n2)cc1.
What is the InChIKey of 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is MZNUFNMIXFCPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4OS/c1-3-14-29(15-4-1)47-50-48(30-16-5-2-6-17-30)52-49(51-47)37-28-31-18-7-8-19-32(31)42-36-22-13-24-39(45(36)54-46(37)42)53-38-23-11-9-20-33(38)34-26-27-41-43(44(34)53)35-21-10-12-25-40(35)55-41/h1-28H.
What are the key properties of 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole?
12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 720.86 g/mol, XLogP of 13.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 164707932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).