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

C52H34N2S — CID 146578511

IUPAC3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H34N2S/c1-2-16-42-35(12-1)13-9-20-43(42)36-26-30-38(31-27-36)53(39-32-28-37(29-33-39)44-21-11-22-48-47-19-5-8-25-51(47)55-52(44)48)40-14-10-15-41(34-40)54-49-23-6-3-17-45(49)46-18-4-7-24-50(46)54/h1-34H
InChIKeyRGYZSXNNKQCWHJ-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

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

3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 146578511) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID146578511
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC Name3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H34N2S/c1-2-16-42-35(12-1)13-9-20-43(42)36-26-30-38(31-27-36)53(39-32-28-37(29-33-39)44-21-11-22-48-47-19-5-8-25-51(47)55-52(44)48)40-14-10-15-41(34-40)54-49-23-6-3-17-45(49)46-18-4-7-24-50(46)54/h1-34H
InChIKeyRGYZSXNNKQCWHJ-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

3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578512
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 160918264
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 146579330
16-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;N,4-diphenyl-N-[4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline;N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N-(4-phenylphenyl)aniline
CID 167617169
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
3-dibenzothiophen-4-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 168766727
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
1-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 162770456
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine
CID 168809842
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325535

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline (CID 146578511) is 3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline is c1cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is RGYZSXNNKQCWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-2-16-42-35(12-1)13-9-20-43(42)36-26-30-38(31-27-36)53(39-32-28-37(29-33-39)44-21-11-22-48-47-19-5-8-25-51(47)55-52(44)48)40-14-10-15-41(34-40)54-49-23-6-3-17-45(49)46-18-4-7-24-50(46)54/h1-34H.
What are the key properties of 3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline?
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-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 3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 146578511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).