N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine

C49H32N4S — CID 163844999

IUPACN-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6cc(N(c7ccccc7)c7cccc8ccccc78)ccc6c45)n3)cc2)cc1
InChIInChI=1S/C49H32N4S/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)48-50-47(36-17-6-2-7-18-36)51-49(52-48)42-23-13-25-44-46(42)41-31-30-39(32-45(41)54-44)53(38-20-8-3-9-21-38)43-24-12-19-35-16-10-11-22-40(35)43/h1-32H
InChIKeyOPJDOTGQCZMLEU-UHFFFAOYSA-N
MW708.89 g/mol
LogP13.53
Rot. Bonds7

About N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine

N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine (PubChem CID 163844999) has the molecular formula C49H32N4S and a molecular weight of 708.89 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine
PubChem CID163844999
Molecular FormulaC49H32N4S
Molecular Weight708.89 g/mol
Exact Mass708.23
IUPAC NameN-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6cc(N(c7ccccc7)c7cccc8ccccc78)ccc6c45)n3)cc2)cc1
InChIInChI=1S/C49H32N4S/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)48-50-47(36-17-6-2-7-18-36)51-49(52-48)42-23-13-25-44-46(42)41-31-30-39(32-45(41)54-44)53(38-20-8-3-9-21-38)43-24-12-19-35-16-10-11-22-40(35)43/h1-32H
InChIKeyOPJDOTGQCZMLEU-UHFFFAOYSA-N
XLogP13.53
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.89
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-dibenzothiophen-1-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-naphthalen-1-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 159090908
2,4-diphenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 155050162
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
4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzothiophen-3-yl]-N,N-diphenylnaphthalen-1-amine
CID 177116926
N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine
CID 176818428
N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine
CID 169281011
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine
CID 164829419
N-(2-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 168807435
N-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 171727080
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(7-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 154934432
6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine
CID 167086761

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine?
The IUPAC name of N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine (CID 163844999) is N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine?
The canonical SMILES for N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6cc(N(c7ccccc7)c7cccc8ccccc78)ccc6c45)n3)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine?
The InChIKey is OPJDOTGQCZMLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4S/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)48-50-47(36-17-6-2-7-18-36)51-49(52-48)42-23-13-25-44-46(42)41-31-30-39(32-45(41)54-44)53(38-20-8-3-9-21-38)43-24-12-19-35-16-10-11-22-40(35)43/h1-32H.
What are the key properties of N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine?
N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine has a molecular weight of 708.89 g/mol, XLogP of 13.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine is sourced from PubChem (CID 163844999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).