N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline

C52H34N2S — CID 167325535

IUPACN-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2-c2cccc3sc4ccccc4c23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H34N2S/c1-2-18-40-35(14-1)15-11-23-41(40)36-30-32-37(33-31-36)53(38-16-12-17-39(34-38)54-48-26-8-3-19-42(48)43-20-4-9-27-49(43)54)47-25-7-5-21-44(47)45-24-13-29-51-52(45)46-22-6-10-28-50(46)55-51/h1-34H
InChIKeyGMDPRGQGOIZPDN-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline

N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 167325535) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID167325535
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2-c2cccc3sc4ccccc4c23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H34N2S/c1-2-18-40-35(14-1)15-11-23-41(40)36-30-32-37(33-31-36)53(38-16-12-17-39(34-38)54-48-26-8-3-19-42(48)43-20-4-9-27-49(43)54)47-25-7-5-21-44(47)45-24-13-29-51-52(45)46-22-6-10-28-50(46)55-51/h1-34H
InChIKeyGMDPRGQGOIZPDN-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-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330481
N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502466
2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298734
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502324
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 146578511
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298758
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298651

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline (CID 167325535) is N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline is c1cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2-c2cccc3sc4ccccc4c23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is GMDPRGQGOIZPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-2-18-40-35(14-1)15-11-23-41(40)36-30-32-37(33-31-36)53(38-16-12-17-39(34-38)54-48-26-8-3-19-42(48)43-20-4-9-27-49(43)54)47-25-7-5-21-44(47)45-24-13-29-51-52(45)46-22-6-10-28-50(46)55-51/h1-34H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline 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-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 167325535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).