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

C45H28N4S2 — CID 171727080

IUPACN-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3nc(-c4ccccc4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C45H28N4S2/c1-3-12-29(13-4-1)30-22-24-32(25-23-30)49(33-26-27-36-34-16-7-9-20-39(34)50-41(36)28-33)45-47-43(31-14-5-2-6-15-31)46-44(48-45)38-19-11-18-37-35-17-8-10-21-40(35)51-42(37)38/h1-28H
InChIKeyIXNJEWYMKOIIBM-UHFFFAOYSA-N
MW688.88 g/mol
LogP13.08
Rot. Bonds6

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

N-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine (PubChem CID 171727080) has the molecular formula C45H28N4S2 and a molecular weight of 688.88 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
PubChem CID171727080
Molecular FormulaC45H28N4S2
Molecular Weight688.88 g/mol
Exact Mass688.18
IUPAC NameN-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3nc(-c4ccccc4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C45H28N4S2/c1-3-12-29(13-4-1)30-22-24-32(25-23-30)49(33-26-27-36-34-16-7-9-20-39(34)50-41(36)28-33)45-47-43(31-14-5-2-6-15-31)46-44(48-45)38-19-11-18-37-35-17-8-10-21-40(35)51-42(37)38/h1-28H
InChIKeyIXNJEWYMKOIIBM-UHFFFAOYSA-N
XLogP13.08
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.88
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176831433
N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine
CID 171727136
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 159997970
2-dibenzothiophen-4-yl-4-[4-(7-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441660
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442046
2-[4-(6-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377434
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146669978
2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170378405
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441659
N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine
CID 163844999
2-dibenzothiophen-4-yl-4-(3-phenylphenyl)-6-[6-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442031

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine (CID 171727080) is N-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3nc(-c4ccccc4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is IXNJEWYMKOIIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4S2/c1-3-12-29(13-4-1)30-22-24-32(25-23-30)49(33-26-27-36-34-16-7-9-20-39(34)50-41(36)28-33)45-47-43(31-14-5-2-6-15-31)46-44(48-45)38-19-11-18-37-35-17-8-10-21-40(35)51-42(37)38/h1-28H.
What are the key properties of N-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine?
N-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 688.88 g/mol, XLogP of 13.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).