3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine

C147H96N12O3 — CID 167690264

IUPAC3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5oc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5oc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c6ccc(N(c7ccccc7)c7ccccc7)cc6oc5c5ccccc45)cc3)n2)cc1
InChIInChI=1S/3C49H32N4O/c1-5-16-33(17-6-1)47-50-48(34-18-7-2-8-19-34)52-49(51-47)44-32-43-41-29-28-36(31-45(41)54-46(43)42-27-14-13-26-40(42)44)35-20-15-25-39(30-35)53(37-21-9-3-10-22-37)38-23-11-4-12-24-38;1-5-15-34(16-6-1)47-50-48(35-17-7-2-8-18-35)52-49(51-47)44-32-43-41-30-27-36(31-45(41)54-46(43)42-24-14-13-23-40(42)44)33-25-28-39(29-26-33)53(37-19-9-3-10-20-37)38-21-11-4-12-22-38;1-5-15-34(16-6-1)47-50-48(35-17-7-2-8-18-35)52-49(51-47)36-27-25-33(26-28-36)43-32-44-41-30-29-39(31-45(41)54-46(44)42-24-14-13-23-40(42)43)53(37-19-9-3-10-20-37)38-21-11-4-12-22-38/h3*1-32H
InChIKeyWVCZQEOBUFXNEB-UHFFFAOYSA-N
MW2078.47 g/mol
LogP39.19
Rot. Bonds21

About 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine

3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 167690264) has the molecular formula C147H96N12O3 and a molecular weight of 2078.47 g/mol. Its IUPAC name is 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine
PubChem CID167690264
Molecular FormulaC147H96N12O3
Molecular Weight2078.47 g/mol
Exact Mass2076.77
IUPAC Name3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5oc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5oc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c6ccc(N(c7ccccc7)c7ccccc7)cc6oc5c5ccccc45)cc3)n2)cc1
InChIInChI=1S/3C49H32N4O/c1-5-16-33(17-6-1)47-50-48(34-18-7-2-8-19-34)52-49(51-47)44-32-43-41-29-28-36(31-45(41)54-46(43)42-27-14-13-26-40(42)44)35-20-15-25-39(30-35)53(37-21-9-3-10-22-37)38-23-11-4-12-24-38;1-5-15-34(16-6-1)47-50-48(35-17-7-2-8-18-35)52-49(51-47)44-32-43-41-30-27-36(31-45(41)54-46(43)42-24-14-13-23-40(42)44)33-25-28-39(29-26-33)53(37-19-9-3-10-20-37)38-21-11-4-12-22-38;1-5-15-34(16-6-1)47-50-48(35-17-7-2-8-18-35)52-49(51-47)36-27-25-33(26-28-36)43-32-44-41-30-29-39(31-45(41)54-46(44)42-24-14-13-23-40(42)43)53(37-19-9-3-10-20-37)38-21-11-4-12-22-38/h3*1-32H
InChIKeyWVCZQEOBUFXNEB-UHFFFAOYSA-N
XLogP39.19
TPSA165.15 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002078.47
LogP ≤ 539.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine with MolForge

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171757155
N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167143588
2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 167143892
3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167144563
4-[9-(2,6-diphenylpyrimidin-4-yl)naphtho[1,2-b][1]benzofuran-5-yl]-N,N-diphenylaniline
CID 166974572
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 167556032
2-dibenzofuran-4-yl-4-phenyl-6-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-1,3,5-triazine
CID 176817867
2-phenyl-4-(4-phenylphenyl)-6-[3-[9-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 176817791
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]aniline
CID 167143212
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 167402145

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine (CID 167690264) is 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5oc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5oc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c6ccc(N(c7ccccc7)c7ccccc7)cc6oc5c5ccccc45)cc3)n2)cc1.
What is the InChIKey of 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is WVCZQEOBUFXNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C49H32N4O/c1-5-16-33(17-6-1)47-50-48(34-18-7-2-8-19-34)52-49(51-47)44-32-43-41-29-28-36(31-45(41)54-46(43)42-27-14-13-26-40(42)44)35-20-15-25-39(30-35)53(37-21-9-3-10-22-37)38-23-11-4-12-24-38;1-5-15-34(16-6-1)47-50-48(35-17-7-2-8-18-35)52-49(51-47)44-32-43-41-30-27-36(31-45(41)54-46(43)42-24-14-13-23-40(42)44)33-25-28-39(29-26-33)53(37-19-9-3-10-20-37)38-21-11-4-12-22-38;1-5-15-34(16-6-1)47-50-48(35-17-7-2-8-18-35)52-49(51-47)36-27-25-33(26-28-36)43-32-44-41-30-29-39(31-45(41)54-46(44)42-24-14-13-23-40(42)43)53(37-19-9-3-10-20-37)38-21-11-4-12-22-38/h3*1-32H.
What are the key properties of 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine?
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 2078.47 g/mol, XLogP of 39.19, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 167690264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).