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

C37H22N4O — CID 166916763

IUPAC9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C37H22N4O/c1-2-11-24(12-3-1)35-38-36(40-37(39-35)41-30-16-8-6-14-27(30)28-15-7-9-17-31(28)41)25-18-20-29-33(22-25)42-32-21-19-23-10-4-5-13-26(23)34(29)32/h1-22H
InChIKeyLMVKGOBJWXFLRL-UHFFFAOYSA-N
MW538.61 g/mol
LogP9.36
Rot. Bonds3

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

9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 166916763) has the molecular formula C37H22N4O and a molecular weight of 538.61 g/mol. Its IUPAC name is 9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID166916763
Molecular FormulaC37H22N4O
Molecular Weight538.61 g/mol
Exact Mass538.18
IUPAC Name9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C37H22N4O/c1-2-11-24(12-3-1)35-38-36(40-37(39-35)41-30-16-8-6-14-27(30)28-15-7-9-17-31(28)41)25-18-20-29-33(22-25)42-32-21-19-23-10-4-5-13-26(23)34(29)32/h1-22H
InChIKeyLMVKGOBJWXFLRL-UHFFFAOYSA-N
XLogP9.36
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane
CID 142571694
ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole
CID 142571463
9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 170108932
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
2-chloro-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 147220347
9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 165051640
9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254
5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 170110356
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
9-[4-dibenzofuran-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162504501
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 176587967
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 176837422

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (CID 166916763) is 9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is LMVKGOBJWXFLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N4O/c1-2-11-24(12-3-1)35-38-36(40-37(39-35)41-30-16-8-6-14-27(30)28-15-7-9-17-31(28)41)25-18-20-29-33(22-25)42-32-21-19-23-10-4-5-13-26(23)34(29)32/h1-22H.
What are the key properties of 9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 538.61 g/mol, XLogP of 9.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 166916763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).