N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine

C42H27NS2 — CID 90350977

IUPACN-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C42H27NS2/c1-2-10-28(11-3-1)29-20-22-30(23-21-29)31-24-26-32(27-25-31)43(37-16-8-14-35-33-12-4-6-18-39(33)44-41(35)37)38-17-9-15-36-34-13-5-7-19-40(34)45-42(36)38/h1-27H
InChIKeyGAAJNAGCWZZVEX-UHFFFAOYSA-N
MW609.82 g/mol
LogP13.23
Rot. Bonds5

About N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine

N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 90350977) has the molecular formula C42H27NS2 and a molecular weight of 609.82 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID90350977
Molecular FormulaC42H27NS2
Molecular Weight609.82 g/mol
Exact Mass609.16
IUPAC NameN-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C42H27NS2/c1-2-10-28(11-3-1)29-20-22-30(23-21-29)31-24-26-32(27-25-31)43(37-16-8-14-35-33-12-4-6-18-39(33)44-41(35)37)38-17-9-15-36-34-13-5-7-19-40(34)45-42(36)38/h1-27H
InChIKeyGAAJNAGCWZZVEX-UHFFFAOYSA-N
XLogP13.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.82
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 121327886
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
CID 153299777
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine
CID 169061493
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine
CID 160550206
N-dibenzothiophen-4-yl-6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 153434003
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 90350977) is N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is GAAJNAGCWZZVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS2/c1-2-10-28(11-3-1)29-20-22-30(23-21-29)31-24-26-32(27-25-31)43(37-16-8-14-35-33-12-4-6-18-39(33)44-41(35)37)38-17-9-15-36-34-13-5-7-19-40(34)45-42(36)38/h1-27H.
What are the key properties of N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 609.82 g/mol, XLogP of 13.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 90350977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).