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

C46H30N2S — CID 167325393

IUPACN-(3-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine
SMILESc1cc(N(c2ccccc2-c2cccc3c2sc2ccccc23)c2cccc3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C46H30N2S/c1-2-18-34-31(14-1)15-11-28-41(34)47(32-16-12-17-33(30-32)48-42-25-7-3-19-35(42)36-20-4-8-26-43(36)48)44-27-9-5-21-37(44)39-23-13-24-40-38-22-6-10-29-45(38)49-46(39)40/h1-30H
InChIKeySYECRTCTYAMHDF-UHFFFAOYSA-N
MW642.83 g/mol
LogP13.44
Rot. Bonds5

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

N-(3-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine (PubChem CID 167325393) has the molecular formula C46H30N2S and a molecular weight of 642.83 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine
PubChem CID167325393
Molecular FormulaC46H30N2S
Molecular Weight642.83 g/mol
Exact Mass642.21
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine
SMILESc1cc(N(c2ccccc2-c2cccc3c2sc2ccccc23)c2cccc3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C46H30N2S/c1-2-18-34-31(14-1)15-11-28-41(34)47(32-16-12-17-33(30-32)48-42-25-7-3-19-35(42)36-20-4-8-26-43(36)48)44-27-9-5-21-37(44)39-23-13-24-40-38-22-6-10-29-45(38)49-46(39)40/h1-30H
InChIKeySYECRTCTYAMHDF-UHFFFAOYSA-N
XLogP13.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.83
LogP ≤ 513.44
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-1-ylphenyl)aniline
CID 146578511
N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 167087055
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
N-dibenzothiophen-4-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298580
N-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168790820
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-3-amine
CID 172500763
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298563
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578512
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325535
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-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine (CID 167325393) is N-(3-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine is c1cc(N(c2ccccc2-c2cccc3c2sc2ccccc23)c2cccc3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine?
The InChIKey is SYECRTCTYAMHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S/c1-2-18-34-31(14-1)15-11-28-41(34)47(32-16-12-17-33(30-32)48-42-25-7-3-19-35(42)36-20-4-8-26-43(36)48)44-27-9-5-21-37(44)39-23-13-24-40-38-22-6-10-29-45(38)49-46(39)40/h1-30H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine?
N-(3-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine has a molecular weight of 642.83 g/mol, XLogP of 13.44, 5 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)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167325393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).