N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline

C62H39NO2 — CID 170272186

IUPACN,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c3)c2)cc1
InChIInChI=1S/C62H39NO2/c1-2-12-40(13-3-1)45-16-8-17-46(38-45)47-18-9-19-50(39-47)63(48-32-26-43(27-33-48)53-22-10-24-55-57-36-30-41-14-4-6-20-51(41)61(57)64-59(53)55)49-34-28-44(29-35-49)54-23-11-25-56-58-37-31-42-15-5-7-21-52(42)62(58)65-60(54)56/h1-39H
InChIKeyXIGWYYQWGIXEPU-UHFFFAOYSA-N
MW830.00 g/mol
LogP17.93
Rot. Bonds7

About N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline

N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline (PubChem CID 170272186) has the molecular formula C62H39NO2 and a molecular weight of 830.00 g/mol. Its IUPAC name is N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
PubChem CID170272186
Molecular FormulaC62H39NO2
Molecular Weight830.00 g/mol
Exact Mass829.30
IUPAC NameN,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c3)c2)cc1
InChIInChI=1S/C62H39NO2/c1-2-12-40(13-3-1)45-16-8-17-46(38-45)47-18-9-19-50(39-47)63(48-32-26-43(27-33-48)53-22-10-24-55-57-36-30-41-14-4-6-20-51(41)61(57)64-59(53)55)49-34-28-44(29-35-49)54-23-11-25-56-58-37-31-42-15-5-7-21-52(42)62(58)65-60(54)56/h1-39H
InChIKeyXIGWYYQWGIXEPU-UHFFFAOYSA-N
XLogP17.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.00
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenyl-4-(3-phenylphenyl)aniline;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N,3,5-triphenylaniline
CID 161353848
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-phenylaniline
CID 167329469
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 121296696
N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 166917437
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
N-(4-phenanthren-2-ylphenyl)-10-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144378
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline
CID 118616110
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N,3,5-triphenyl-N-[4-(18-phenyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16(21),17,19-decaen-5-yl)phenyl]aniline
CID 130466802
N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 158862131
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline?
The IUPAC name of N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline (CID 170272186) is N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline.
What is the SMILES notation for N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline?
The canonical SMILES for N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline is c1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c3)c2)cc1.
What is the InChIKey of N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline?
The InChIKey is XIGWYYQWGIXEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO2/c1-2-12-40(13-3-1)45-16-8-17-46(38-45)47-18-9-19-50(39-47)63(48-32-26-43(27-33-48)53-22-10-24-55-57-36-30-41-14-4-6-20-51(41)61(57)64-59(53)55)49-34-28-44(29-35-49)54-23-11-25-56-58-37-31-42-15-5-7-21-52(42)62(58)65-60(54)56/h1-39H.
What are the key properties of N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline?
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline has a molecular weight of 830.00 g/mol, XLogP of 17.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline is sourced from PubChem (CID 170272186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).