N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine

C52H33NOS — CID 121383327

IUPACN-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C52H33NOS/c1-2-13-41(14-3-1)53(48-18-10-12-35-11-4-5-15-43(35)48)42-25-21-34(22-26-42)38-29-39(36-23-27-50-46(32-36)44-16-6-8-19-49(44)54-50)31-40(30-38)37-24-28-52-47(33-37)45-17-7-9-20-51(45)55-52/h1-33H
InChIKeyPWQAFSZXGWJLCA-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine

N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 121383327) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine
PubChem CID121383327
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C52H33NOS/c1-2-13-41(14-3-1)53(48-18-10-12-35-11-4-5-15-43(35)48)42-25-21-34(22-26-42)38-29-39(36-23-27-50-46(32-36)44-16-6-8-19-49(44)54-50)31-40(30-38)37-24-28-52-47(33-37)45-17-7-9-20-51(45)55-52/h1-33H
InChIKeyPWQAFSZXGWJLCA-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 121383334
8-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;8-dibenzofuran-2-yl-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine;8-dibenzothiophen-2-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161143692
bis(4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline);N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3,5-diphenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 158888724
N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 159845485
4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;3-dibenzothiophen-2-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 158126974
N-(4-dibenzothiophen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 118405930
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 147348264
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 121383373
1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 160604372
N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 130438409
N,N-bis(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;8-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160881655
2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine
CID 157356012

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine (CID 121383327) is N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is PWQAFSZXGWJLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-13-41(14-3-1)53(48-18-10-12-35-11-4-5-15-43(35)48)42-25-21-34(22-26-42)38-29-39(36-23-27-50-46(32-36)44-16-6-8-19-49(44)54-50)31-40(30-38)37-24-28-52-47(33-37)45-17-7-9-20-51(45)55-52/h1-33H.
What are the key properties of N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine?
N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 121383327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).