N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine

C42H27NOS — CID 171435354

IUPACN-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc4sc5ccccc5c4c3)c3ccc(-c4ccccc4)c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C42H27NOS/c1-3-12-28(13-4-1)30-16-11-17-31(26-30)43(32-22-25-40-36(27-32)34-18-8-10-21-39(34)45-40)37-24-23-33(29-14-5-2-6-15-29)41-35-19-7-9-20-38(35)44-42(37)41/h1-27H
InChIKeySGIITVAACTYFDL-UHFFFAOYSA-N
MW593.75 g/mol
LogP12.76
Rot. Bonds5

About N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine

N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine (PubChem CID 171435354) has the molecular formula C42H27NOS and a molecular weight of 593.75 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
PubChem CID171435354
Molecular FormulaC42H27NOS
Molecular Weight593.75 g/mol
Exact Mass593.18
IUPAC NameN-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc4sc5ccccc5c4c3)c3ccc(-c4ccccc4)c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C42H27NOS/c1-3-12-28(13-4-1)30-16-11-17-31(26-30)43(32-22-25-40-36(27-32)34-18-8-10-21-39(34)45-40)37-24-23-33(29-14-5-2-6-15-29)41-35-19-7-9-20-38(35)44-42(37)41/h1-27H
InChIKeySGIITVAACTYFDL-UHFFFAOYSA-N
XLogP12.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.75
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171434776
4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine
CID 170043743
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435491
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171435415
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434565
N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
CID 168804753
N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171435515
N-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 163977940
N-dibenzothiophen-2-yl-N-phenyl-1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-4-amine
CID 169048376
N-(4-naphthalen-1-ylphenyl)-1-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 165076056
N-dibenzofuran-2-yl-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435497
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
CID 176820875

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine (CID 171435354) is N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2cccc(N(c3ccc4sc5ccccc5c4c3)c3ccc(-c4ccccc4)c4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is SGIITVAACTYFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NOS/c1-3-12-28(13-4-1)30-16-11-17-31(26-30)43(32-22-25-40-36(27-32)34-18-8-10-21-39(34)45-40)37-24-23-33(29-14-5-2-6-15-29)41-35-19-7-9-20-38(35)44-42(37)41/h1-27H.
What are the key properties of N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine?
N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 593.75 g/mol, XLogP of 12.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 171435354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).