1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine

C75H49ClN6O2 — CID 161145505

IUPAC1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Clc1cccc2ccc3c4ccccc4oc3c12.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5ccc6c7ccccc7oc6c45)c3)n2)cc1
InChIInChI=1S/C37H23N3O.C22H17N3.C16H9ClO/c1-3-11-25(12-4-1)35-38-36(26-13-5-2-6-14-26)40-37(39-35)28-17-9-16-27(23-28)29-19-10-15-24-21-22-31-30-18-7-8-20-32(30)41-34(31)33(24)29;1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18;17-13-6-3-4-10-8-9-12-11-5-1-2-7-14(11)18-16(12)15(10)13/h1-23H;2-15H,1H3;1-9H
InChIKeyUNZNUOKEJFCNEH-UHFFFAOYSA-N
MW1101.71 g/mol
LogP20.17
Rot. Bonds7

About 1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine

1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 161145505) has the molecular formula C75H49ClN6O2 and a molecular weight of 1101.71 g/mol. Its IUPAC name is 1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID161145505
Molecular FormulaC75H49ClN6O2
Molecular Weight1101.71 g/mol
Exact Mass1100.36
IUPAC Name1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Clc1cccc2ccc3c4ccccc4oc3c12.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5ccc6c7ccccc7oc6c45)c3)n2)cc1
InChIInChI=1S/C37H23N3O.C22H17N3.C16H9ClO/c1-3-11-25(12-4-1)35-38-36(26-13-5-2-6-14-26)40-37(39-35)28-17-9-16-27(23-28)29-19-10-15-24-21-22-31-30-18-7-8-20-32(30)41-34(31)33(24)29;1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18;17-13-6-3-4-10-8-9-12-11-5-1-2-7-14(11)18-16(12)15(10)13/h1-23H;2-15H,1H3;1-9H
InChIKeyUNZNUOKEJFCNEH-UHFFFAOYSA-N
XLogP20.17
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.71
LogP ≤ 520.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-naphtho[1,2-b][1]benzofuran-1-yl-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 163623403
2-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167032790
2,4-di(dibenzofuran-4-yl)-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazine
CID 169278664
2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 169048923
2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 169004283
2-[3-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430151
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 153215497
2-dibenzofuran-1-yl-4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-8-yl)-6-phenyl-1,3,5-triazine
CID 166848478
4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline
CID 155326547
2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 146658795
2-(9,9-diphenylfluoren-2-yl)-4-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 161426353

Frequently Asked Questions

What is the IUPAC name of 1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 161145505) is 1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine is Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Clc1cccc2ccc3c4ccccc4oc3c12.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5ccc6c7ccccc7oc6c45)c3)n2)cc1.
What is the InChIKey of 1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is UNZNUOKEJFCNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O.C22H17N3.C16H9ClO/c1-3-11-25(12-4-1)35-38-36(26-13-5-2-6-14-26)40-37(39-35)28-17-9-16-27(23-28)29-19-10-15-24-21-22-31-30-18-7-8-20-32(30)41-34(31)33(24)29;1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18;17-13-6-3-4-10-8-9-12-11-5-1-2-7-14(11)18-16(12)15(10)13/h1-23H;2-15H,1H3;1-9H.
What are the key properties of 1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1101.71 g/mol, XLogP of 20.17, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloronaphtho[1,2-b][1]benzofuran;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 161145505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).