3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline

C53H35NO2 — CID 170941914

IUPAC3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline
SMILESCc1ccccc1-c1ccc(N(c2ccc(-c3ccc4ccc5oc6ccccc6c5c4c3)cc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C53H35NO2/c1-34-10-2-3-13-43(34)36-24-29-41(30-25-36)54(42-12-8-11-39(32-42)44-16-9-17-46-45-14-4-6-18-49(45)56-53(44)46)40-27-22-35(23-28-40)38-21-20-37-26-31-51-52(48(37)33-38)47-15-5-7-19-50(47)55-51/h2-33H,1H3
InChIKeySHVVLJKHSWAMAJ-UHFFFAOYSA-N
MW717.87 g/mol
LogP15.42
Rot. Bonds6

About 3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline

3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline (PubChem CID 170941914) has the molecular formula C53H35NO2 and a molecular weight of 717.87 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline
PubChem CID170941914
Molecular FormulaC53H35NO2
Molecular Weight717.87 g/mol
Exact Mass717.27
IUPAC Name3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline
SMILESCc1ccccc1-c1ccc(N(c2ccc(-c3ccc4ccc5oc6ccccc6c5c4c3)cc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C53H35NO2/c1-34-10-2-3-13-43(34)36-24-29-41(30-25-36)54(42-12-8-11-39(32-42)44-16-9-17-46-45-14-4-6-18-49(45)56-53(44)46)40-27-22-35(23-28-40)38-21-20-37-26-31-51-52(48(37)33-38)47-15-5-7-19-50(47)55-51/h2-33H,1H3
InChIKeySHVVLJKHSWAMAJ-UHFFFAOYSA-N
XLogP15.42
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.87
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170032090
3-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 118428387
N-(4-dibenzofuran-4-ylphenyl)-8-methyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 162132679
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N,N-bis[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(2-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161497099
N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline
CID 142614641
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 158761116
N-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-(2-methylphenyl)-N-(4-phenylphenyl)aniline
CID 130250362
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 161468375
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
3-dibenzofuran-4-yl-N,N-bis[4-[3-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(2-phenylphenyl)phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 162075230

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline?
The IUPAC name of 3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline (CID 170941914) is 3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline.
What is the SMILES notation for 3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline?
The canonical SMILES for 3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline is Cc1ccccc1-c1ccc(N(c2ccc(-c3ccc4ccc5oc6ccccc6c5c4c3)cc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline?
The InChIKey is SHVVLJKHSWAMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO2/c1-34-10-2-3-13-43(34)36-24-29-41(30-25-36)54(42-12-8-11-39(32-42)44-16-9-17-46-45-14-4-6-18-49(45)56-53(44)46)40-27-22-35(23-28-40)38-21-20-37-26-31-51-52(48(37)33-38)47-15-5-7-19-50(47)55-51/h2-33H,1H3.
What are the key properties of 3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline?
3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline has a molecular weight of 717.87 g/mol, XLogP of 15.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-N-[4-(2-methylphenyl)phenyl]-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline is sourced from PubChem (CID 170941914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).