4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine

C46H31NO — CID 140919372

IUPAC4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)c4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-3-11-32(12-4-1)35-21-25-39(26-22-35)47(40-27-23-36(24-28-40)33-13-5-2-6-14-33)41-30-43(38-20-19-34-15-7-8-16-37(34)29-38)46-44(31-41)42-17-9-10-18-45(42)48-46/h1-31H
InChIKeyMLHUGCMUXVBHNX-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About 4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine

4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 140919372) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID140919372
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC Name4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)c4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-3-11-32(12-4-1)35-21-25-39(26-22-35)47(40-27-23-36(24-28-40)33-13-5-2-6-14-33)41-30-43(38-20-19-34-15-7-8-16-37(34)29-38)46-44(31-41)42-17-9-10-18-45(42)48-46/h1-31H
InChIKeyMLHUGCMUXVBHNX-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770461
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
4-(2-naphthalen-2-yldibenzofuran-4-yl)-N,N-diphenylaniline;2-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 161024145
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919310
N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 135277270
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
3,5-di(dibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;bis(N-[3,5-di(dibenzofuran-4-yl)phenyl]-N-phenylnaphthalen-2-amine);3,5-di(dibenzofuran-4-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 160923165
7-phenyl-N,N-bis(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-amine
CID 170536147
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]aniline
CID 88950712

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine (CID 140919372) is 4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)c4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is MLHUGCMUXVBHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-3-11-32(12-4-1)35-21-25-39(26-22-35)47(40-27-23-36(24-28-40)33-13-5-2-6-14-33)41-30-43(38-20-19-34-15-7-8-16-37(34)29-38)46-44(31-41)42-17-9-10-18-45(42)48-46/h1-31H.
What are the key properties of 4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine?
4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 613.76 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 140919372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).