N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine

C55H36N4O — CID 170093374

IUPACN-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cc(-c7ccc(N(c8ccccc8)c8ccc9ccccc9c8)cc7)ccc6c5c4)n3)cc2)cc1
InChIInChI=1S/C55H36N4O/c1-4-12-37(13-5-1)39-20-22-42(23-21-39)54-56-53(41-15-6-2-7-16-41)57-55(58-54)45-28-33-51-50(35-45)49-32-27-44(36-52(49)60-51)40-24-29-47(30-25-40)59(46-18-8-3-9-19-46)48-31-26-38-14-10-11-17-43(38)34-48/h1-36H
InChIKeyAMGVOOGFADCTFD-UHFFFAOYSA-N
MW768.92 g/mol
LogP14.73
Rot. Bonds8

About N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine

N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine (PubChem CID 170093374) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine
PubChem CID170093374
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC NameN-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cc(-c7ccc(N(c8ccccc8)c8ccc9ccccc9c8)cc7)ccc6c5c4)n3)cc2)cc1
InChIInChI=1S/C55H36N4O/c1-4-12-37(13-5-1)39-20-22-42(23-21-39)54-56-53(41-15-6-2-7-16-41)57-55(58-54)45-28-33-51-50(35-45)49-32-27-44(36-52(49)60-51)40-24-29-47(30-25-40)59(46-18-8-3-9-19-46)48-31-26-38-14-10-11-17-43(38)34-48/h1-36H
InChIKeyAMGVOOGFADCTFD-UHFFFAOYSA-N
XLogP14.73
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095491
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095126
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 170095080
7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095890
2-(8-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167402984
2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616855
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121450043
N-naphthalen-2-yl-N-[3-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]naphthalen-2-amine
CID 130208137
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170383671
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine?
The IUPAC name of N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine (CID 170093374) is N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cc(-c7ccc(N(c8ccccc8)c8ccc9ccccc9c8)cc7)ccc6c5c4)n3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine?
The InChIKey is AMGVOOGFADCTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-4-12-37(13-5-1)39-20-22-42(23-21-39)54-56-53(41-15-6-2-7-16-41)57-55(58-54)45-28-33-51-50(35-45)49-32-27-44(36-52(49)60-51)40-24-29-47(30-25-40)59(46-18-8-3-9-19-46)48-31-26-38-14-10-11-17-43(38)34-48/h1-36H.
What are the key properties of N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine?
N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine has a molecular weight of 768.92 g/mol, XLogP of 14.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 170093374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).