N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine

C52H36N2S — CID 166917554

IUPACN-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)cc5)cccc4c3)cc2)cc1
InChIInChI=1S/C52H36N2S/c1-4-13-37(14-5-1)38-23-27-43(28-24-38)53(41-16-6-2-7-17-41)45-31-33-48-40(35-45)15-12-21-47(48)39-25-29-44(30-26-39)54(42-18-8-3-9-19-42)46-32-34-50-49-20-10-11-22-51(49)55-52(50)36-46/h1-36H
InChIKeyUAKKPIFACYQESC-UHFFFAOYSA-N
MW720.94 g/mol
LogP15.48
Rot. Bonds8

About N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine

N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine (PubChem CID 166917554) has the molecular formula C52H36N2S and a molecular weight of 720.94 g/mol. Its IUPAC name is N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
PubChem CID166917554
Molecular FormulaC52H36N2S
Molecular Weight720.94 g/mol
Exact Mass720.26
IUPAC NameN-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)cc5)cccc4c3)cc2)cc1
InChIInChI=1S/C52H36N2S/c1-4-13-37(14-5-1)38-23-27-43(28-24-38)53(41-16-6-2-7-17-41)45-31-33-48-40(35-45)15-12-21-47(48)39-25-29-44(30-26-39)54(42-18-8-3-9-19-42)46-32-34-50-49-20-10-11-22-51(49)55-52(50)36-46/h1-36H
InChIKeyUAKKPIFACYQESC-UHFFFAOYSA-N
XLogP15.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.94
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 166589707
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 135277607
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 163818841
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 161361054
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine
CID 170272717
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098532

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine (CID 166917554) is N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)cc5)cccc4c3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine?
The InChIKey is UAKKPIFACYQESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2S/c1-4-13-37(14-5-1)38-23-27-43(28-24-38)53(41-16-6-2-7-17-41)45-31-33-48-40(35-45)15-12-21-47(48)39-25-29-44(30-26-39)54(42-18-8-3-9-19-42)46-32-34-50-49-20-10-11-22-51(49)55-52(50)36-46/h1-36H.
What are the key properties of N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine?
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine has a molecular weight of 720.94 g/mol, XLogP of 15.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 166917554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).