4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine

C52H34N2S — CID 118534100

IUPAC4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2Nc2ccc(-c3ccc4sc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C52H34N2S/c1-3-13-34(14-4-1)45-31-35(36-23-26-43-42-19-9-11-21-49(42)54(50(43)33-36)38-15-5-2-6-16-38)24-28-48(45)53-47-29-27-39(40-17-7-8-18-41(40)47)37-25-30-52-46(32-37)44-20-10-12-22-51(44)55-52/h1-33,53H
InChIKeyQOIFWPQAAJAFEM-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.05
Rot. Bonds6

About 4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine

4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine (PubChem CID 118534100) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine
PubChem CID118534100
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC Name4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2Nc2ccc(-c3ccc4sc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C52H34N2S/c1-3-13-34(14-4-1)45-31-35(36-23-26-43-42-19-9-11-21-49(42)54(50(43)33-36)38-15-5-2-6-16-38)24-28-48(45)53-47-29-27-39(40-17-7-8-18-41(40)47)37-25-30-52-46(32-37)44-20-10-12-22-51(44)55-52/h1-33,53H
InChIKeyQOIFWPQAAJAFEM-UHFFFAOYSA-N
XLogP15.05
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.93
LogP ≤ 515.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 126700453
2-(8-fluoranthen-3-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 122434626
2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118907856
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
CID 163575771
3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
2-[9-(2-dibenzothiophen-2-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510089
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
2-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole;2-dibenzothiophen-4-yl-9-(4-phenylphenyl)carbazole;4-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 157492203
10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324812
3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
CID 71291327
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine
CID 164934429

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine?
The IUPAC name of 4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine (CID 118534100) is 4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for 4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for 4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine is c1ccc(-c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2Nc2ccc(-c3ccc4sc5ccccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine?
The InChIKey is QOIFWPQAAJAFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-3-13-34(14-4-1)45-31-35(36-23-26-43-42-19-9-11-21-49(42)54(50(43)33-36)38-15-5-2-6-16-38)24-28-48(45)53-47-29-27-39(40-17-7-8-18-41(40)47)37-25-30-52-46(32-37)44-20-10-12-22-51(44)55-52/h1-33,53H.
What are the key properties of 4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine?
4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine has a molecular weight of 718.93 g/mol, XLogP of 15.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 118534100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).