N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

C58H37NO2 — CID 167402575

IUPACN-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc4c3oc3c5ccccc5c(-c5cccc(-c6ccccc6)c5)cc43)cc2)cc1
InChIInChI=1S/C58H37NO2/c1-3-13-38(14-4-1)40-25-30-45(31-26-40)59(46-32-27-41(28-33-46)43-29-34-56-52(36-43)48-20-9-10-24-55(48)60-56)54-23-12-22-50-53-37-51(47-19-7-8-21-49(47)57(53)61-58(50)54)44-18-11-17-42(35-44)39-15-5-2-6-16-39/h1-37H
InChIKeyGUNNKHRTZAGIPI-UHFFFAOYSA-N
MW779.94 g/mol
LogP16.78
Rot. Bonds7

About N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 167402575) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID167402575
Molecular FormulaC58H37NO2
Molecular Weight779.94 g/mol
Exact Mass779.28
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc4c3oc3c5ccccc5c(-c5cccc(-c6ccccc6)c5)cc43)cc2)cc1
InChIInChI=1S/C58H37NO2/c1-3-13-38(14-4-1)40-25-30-45(31-26-40)59(46-32-27-41(28-33-46)43-29-34-56-52(36-43)48-20-9-10-24-55(48)60-56)54-23-12-22-50-53-37-51(47-19-7-8-21-49(47)57(53)61-58(50)54)44-18-11-17-42(35-44)39-15-5-2-6-16-39/h1-37H
InChIKeyGUNNKHRTZAGIPI-UHFFFAOYSA-N
XLogP16.78
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402059
N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144400
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
N-dibenzofuran-3-yl-N,5-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167144409
3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 139393694
N-(3,5-diphenylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168804923
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
CID 129085302

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (CID 167402575) is N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc4c3oc3c5ccccc5c(-c5cccc(-c6ccccc6)c5)cc43)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is GUNNKHRTZAGIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-3-13-38(14-4-1)40-25-30-45(31-26-40)59(46-32-27-41(28-33-46)43-29-34-56-52(36-43)48-20-9-10-24-55(48)60-56)54-23-12-22-50-53-37-51(47-19-7-8-21-49(47)57(53)61-58(50)54)44-18-11-17-42(35-44)39-15-5-2-6-16-39/h1-37H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 779.94 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 167402575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).