N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine

C52H34N2S — CID 170298457

IUPACN-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5sc6ccccc6c45)c23)cc1
InChIInChI=1S/C52H34N2S/c1-3-16-35(17-4-1)39-25-13-18-36-19-14-26-42(51(36)39)40-22-7-10-27-45(40)54(48-29-15-31-50-52(48)43-24-9-12-30-49(43)55-50)38-32-33-47-44(34-38)41-23-8-11-28-46(41)53(47)37-20-5-2-6-21-37/h1-34H
InChIKeyYOYJDMHTOUUONU-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine

N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine (PubChem CID 170298457) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
PubChem CID170298457
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5sc6ccccc6c45)c23)cc1
InChIInChI=1S/C52H34N2S/c1-3-16-35(17-4-1)39-25-13-18-36-19-14-26-42(51(36)39)40-22-7-10-27-45(40)54(48-29-15-31-50-52(48)43-24-9-12-30-49(43)55-50)38-32-33-47-44(34-38)41-23-8-11-28-46(41)53(47)37-20-5-2-6-21-37/h1-34H
InChIKeyYOYJDMHTOUUONU-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

2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298734
N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 170298472
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298651
N-dibenzothiophen-4-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298580
N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170666257
N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 166997472
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298758
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298558
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170297250
N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
CID 155051682
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605
N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170666332

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine?
The IUPAC name of N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine (CID 170298457) is N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4cccc5sc6ccccc6c45)c23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine?
The InChIKey is YOYJDMHTOUUONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-3-16-35(17-4-1)39-25-13-18-36-19-14-26-42(51(36)39)40-22-7-10-27-45(40)54(48-29-15-31-50-52(48)43-24-9-12-30-49(43)55-50)38-32-33-47-44(34-38)41-23-8-11-28-46(41)53(47)37-20-5-2-6-21-37/h1-34H.
What are the key properties of N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine?
N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-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-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 170298457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).