N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine

C52H34N2S — CID 168847959

IUPACN-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C52H34N2S/c1-3-15-36(16-4-1)42-33-34-48(51-44-23-10-12-28-49(44)55-52(42)51)54(39-31-29-37(30-32-39)41-24-13-18-35-17-7-8-21-40(35)41)47-27-14-26-46-50(47)43-22-9-11-25-45(43)53(46)38-19-5-2-6-20-38/h1-34H
InChIKeyLKMLWRBJHFYRNU-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine

N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine (PubChem CID 168847959) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
PubChem CID168847959
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C52H34N2S/c1-3-15-36(16-4-1)42-33-34-48(51-44-23-10-12-28-49(44)55-52(42)51)54(39-31-29-37(30-32-39)41-24-13-18-35-17-7-8-21-40(35)41)47-27-14-26-46-50(47)43-22-9-11-25-45(43)53(46)38-19-5-2-6-20-38/h1-34H
InChIKeyLKMLWRBJHFYRNU-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-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847825
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
CID 163563367
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 168835696
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848106
N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine
CID 170030867
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 146579330
3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164968900
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 160770802
4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 168848021
4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744420
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397345
4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine
CID 176609982

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine (CID 168847959) is N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)c3c2sc2ccccc23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine?
The InChIKey is LKMLWRBJHFYRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-3-15-36(16-4-1)42-33-34-48(51-44-23-10-12-28-49(44)55-52(42)51)54(39-31-29-37(30-32-39)41-24-13-18-35-17-7-8-21-40(35)41)47-27-14-26-46-50(47)43-22-9-11-25-45(43)53(46)38-19-5-2-6-20-38/h1-34H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine?
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-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-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine is sourced from PubChem (CID 168847959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).