9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole

C43H26N4O — CID 164707562

IUPAC9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)n2)cc1
InChIInChI=1S/C43H26N4O/c1-3-14-27(15-4-1)41-44-42(28-16-5-2-6-17-28)46-43(45-41)34-26-29-18-7-8-19-30(29)38-33-22-13-25-37(39(33)48-40(34)38)47-35-23-11-9-20-31(35)32-21-10-12-24-36(32)47/h1-26H
InChIKeyYKHFIHYPMDJIBP-UHFFFAOYSA-N
MW614.71 g/mol
LogP11.02
Rot. Bonds4

About 9-[6-(4,6-diphenyl-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 (PubChem CID 164707562) has the molecular formula C43H26N4O and a molecular weight of 614.71 g/mol. Its IUPAC name is 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole.

Molecular Properties

Compound Name9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
PubChem CID164707562
Molecular FormulaC43H26N4O
Molecular Weight614.71 g/mol
Exact Mass614.21
IUPAC Name9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)n2)cc1
InChIInChI=1S/C43H26N4O/c1-3-14-27(15-4-1)41-44-42(28-16-5-2-6-17-28)46-43(45-41)34-26-29-18-7-8-19-30(29)38-33-22-13-25-37(39(33)48-40(34)38)47-35-23-11-9-20-31(35)32-21-10-12-24-36(32)47/h1-26H
InChIKeyYKHFIHYPMDJIBP-UHFFFAOYSA-N
XLogP11.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707544
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
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
5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 164707859
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
CID 139556525
4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211165
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole
CID 155203344
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166952688
9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
CID 176773398
9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 169010985
9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080349

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole?
The IUPAC name of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole (CID 164707562) is 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole.
What is the SMILES notation for 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole?
The canonical SMILES for 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)n2)cc1.
What is the InChIKey of 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole?
The InChIKey is YKHFIHYPMDJIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O/c1-3-14-27(15-4-1)41-44-42(28-16-5-2-6-17-28)46-43(45-41)34-26-29-18-7-8-19-30(29)38-33-22-13-25-37(39(33)48-40(34)38)47-35-23-11-9-20-31(35)32-21-10-12-24-36(32)47/h1-26H.
What are the key properties of 9-[6-(4,6-diphenyl-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 has a molecular weight of 614.71 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole is sourced from PubChem (CID 164707562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).