9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine

C55H36N4O — CID 164707795

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C55H36N4O/c1-5-15-37(16-6-1)39-25-30-44(31-26-39)59(45-32-27-40(28-33-45)38-17-7-2-8-18-38)49-36-51-52(47-24-14-13-23-46(47)49)48-34-29-43(35-50(48)60-51)55-57-53(41-19-9-3-10-20-41)56-54(58-55)42-21-11-4-12-22-42/h1-36H
InChIKeyPDOPOLWHYIXFFT-UHFFFAOYSA-N
MW768.92 g/mol
LogP14.73
Rot. Bonds8

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine (PubChem CID 164707795) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
PubChem CID164707795
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C55H36N4O/c1-5-15-37(16-6-1)39-25-30-44(31-26-39)59(45-32-27-40(28-33-45)38-17-7-2-8-18-38)49-36-51-52(47-24-14-13-23-46(47)49)48-34-29-43(35-50(48)60-51)55-57-53(41-19-9-3-10-20-41)56-54(58-55)42-21-11-4-12-22-42/h1-36H
InChIKeyPDOPOLWHYIXFFT-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

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 164707819
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383591
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170095984
9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine
CID 175615107
10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
CID 155359774
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine
CID 167363460
5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 130387466
11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
CID 167363481
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-9-phenylcarbazole;N-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 165054175
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline
CID 176808418
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine (CID 164707795) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c4ccccc34)cc2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The InChIKey is PDOPOLWHYIXFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-5-15-37(16-6-1)39-25-30-44(31-26-39)59(45-32-27-40(28-33-45)38-17-7-2-8-18-38)49-36-51-52(47-24-14-13-23-46(47)49)48-34-29-43(35-50(48)60-51)55-57-53(41-19-9-3-10-20-41)56-54(58-55)42-21-11-4-12-22-42/h1-36H.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-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 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine is sourced from PubChem (CID 164707795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).