1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine

C44H29NS — CID 156522856

IUPAC1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3-c3ccc4sc5ccccc5c4c3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C44H29NS/c1-2-11-30(12-3-1)31-21-25-35(26-22-31)45(40-19-10-15-32-13-4-6-16-36(32)40)41-27-23-33-14-5-7-17-37(33)44(41)34-24-28-43-39(29-34)38-18-8-9-20-42(38)46-43/h1-29H
InChIKeyMMYZOTKXLBZJNU-UHFFFAOYSA-N
MW603.79 g/mol
LogP13.16
Rot. Bonds5

About 1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine

1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 156522856) has the molecular formula C44H29NS and a molecular weight of 603.79 g/mol. Its IUPAC name is 1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID156522856
Molecular FormulaC44H29NS
Molecular Weight603.79 g/mol
Exact Mass603.20
IUPAC Name1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3-c3ccc4sc5ccccc5c4c3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C44H29NS/c1-2-11-30(12-3-1)31-21-25-35(26-22-31)45(40-19-10-15-32-13-4-6-16-36(32)40)41-27-23-33-14-5-7-17-37(33)44(41)34-24-28-43-39(29-34)38-18-8-9-20-42(38)46-43/h1-29H
InChIKeyMMYZOTKXLBZJNU-UHFFFAOYSA-N
XLogP13.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.79
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501553
N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine
CID 166008457
2-dibenzothiophen-2-yl-3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274441
N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098573
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167326162
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 156522503
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
N-naphthalen-1-yl-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 164774057
2-dibenzothiophen-2-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167326214

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of 1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine (CID 156522856) is 1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for 1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for 1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3-c3ccc4sc5ccccc5c4c3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is MMYZOTKXLBZJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NS/c1-2-11-30(12-3-1)31-21-25-35(26-22-31)45(40-19-10-15-32-13-4-6-16-36(32)40)41-27-23-33-14-5-7-17-37(33)44(41)34-24-28-43-39(29-34)38-18-8-9-20-42(38)46-43/h1-29H.
What are the key properties of 1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine?
1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 603.79 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 156522856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).