N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine

C52H34N2S — CID 167236455

IUPACN-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C52H34N2S/c1-2-14-36(15-3-1)42-32-27-39(38-26-25-35-13-4-5-16-37(35)33-38)34-49(42)54(48-22-12-24-51-52(48)45-19-8-11-23-50(45)55-51)41-30-28-40(29-31-41)53-46-20-9-6-17-43(46)44-18-7-10-21-47(44)53/h1-34H
InChIKeyZQXWJTMMPISCNX-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine

N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 167236455) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
PubChem CID167236455
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C52H34N2S/c1-2-14-36(15-3-1)42-32-27-39(38-26-25-35-13-4-5-16-37(35)33-38)34-49(42)54(48-22-12-24-51-52(48)45-19-8-11-23-50(45)55-51)41-30-28-40(29-31-41)53-46-20-9-6-17-43(46)44-18-7-10-21-47(44)53/h1-34H
InChIKeyZQXWJTMMPISCNX-UHFFFAOYSA-N
XLogP15.11
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.93
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
CID 155051682
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847825
N-(4-carbazol-9-ylphenyl)-2,5-dinaphthalen-2-yl-N-phenylaniline
CID 167236410
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline
CID 167234428
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
CID 155396619
N-(4-carbazol-9-ylphenyl)-2,5-dinaphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167233971
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 168809308
N-(4-naphthalen-2-ylphenyl)-N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenylcarbazol-3-amine
CID 163883658
N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167234431
N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167235229
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167235577
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine (CID 167236455) is N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is ZQXWJTMMPISCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-2-14-36(15-3-1)42-32-27-39(38-26-25-35-13-4-5-16-37(35)33-38)34-49(42)54(48-22-12-24-51-52(48)45-19-8-11-23-50(45)55-51)41-30-28-40(29-31-41)53-46-20-9-6-17-43(46)44-18-7-10-21-47(44)53/h1-34H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine?
N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 718.93 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 167236455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).