2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine

C57H35N3O — CID 177278839

IUPAC2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine

SMILESc1ccc(-c2cccc3cc(-c4nc(-c5cccc(-c6ccc(-c7ccccc7)c7ccccc67)c5)nc(-c5cccc6oc7c8ccccc8ccc7c56)n4)ccc23)cc1

InChIInChI=1S/C57H35N3O/c1-3-14-36(15-4-1)43-25-12-20-39-35-42(29-30-45(39)43)56-58-55(59-57(60-56)51-26-13-27-52-53(51)50-31-28-38-18-7-8-22-47(38)54(50)61-52)41-21-11-19-40(34-41)46-33-32-44(37-16-5-2-6-17-37)48-23-9-10-24-49(46)48/h1-35H

InChIKeyJWXBCHPFVLMYCN-UHFFFAOYSA-N

MW777.93 g/mol

LogP15.23

Rot. Bonds6

About 2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine

2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine (PubChem CID 177278839) has the molecular formula C57H35N3O and a molecular weight of 777.93 g/mol. Its IUPAC name is 2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name	2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
PubChem CID	177278839
Molecular Formula	C57H35N3O
Molecular Weight	777.93 g/mol
Exact Mass	777.28
IUPAC Name	2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
SMILES	c1ccc(-c2cccc3cc(-c4nc(-c5cccc(-c6ccc(-c7ccccc7)c7ccccc67)c5)nc(-c5cccc6oc7c8ccccc8ccc7c56)n4)ccc23)cc1
InChI	InChI=1S/C57H35N3O/c1-3-14-36(15-4-1)43-25-12-20-39-35-42(29-30-45(39)43)56-58-55(59-57(60-56)51-26-13-27-52-53(51)50-31-28-38-18-7-8-22-47(38)54(50)61-52)41-21-11-19-40(34-41)46-33-32-44(37-16-5-2-6-17-37)48-23-9-10-24-49(46)48/h1-35H
InChIKey	JWXBCHPFVLMYCN-UHFFFAOYSA-N
XLogP	15.23
TPSA	51.81 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	61
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.93
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine (CID 177278839) is 2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc3cc(-c4nc(-c5cccc(-c6ccc(-c7ccccc7)c7ccccc67)c5)nc(-c5cccc6oc7c8ccccc8ccc7c56)n4)ccc23)cc1.

What is the InChIKey of 2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?

The InChIKey is JWXBCHPFVLMYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O/c1-3-14-36(15-4-1)43-25-12-20-39-35-42(29-30-45(39)43)56-58-55(59-57(60-56)51-26-13-27-52-53(51)50-31-28-38-18-7-8-22-47(38)54(50)61-52)41-21-11-19-40(34-41)46-33-32-44(37-16-5-2-6-17-37)48-23-9-10-24-49(46)48/h1-35H.

What are the key properties of 2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?

2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine has a molecular weight of 777.93 g/mol, XLogP of 15.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 177278839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).