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

C52H34N2S — CID 167227684

IUPAC4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C52H34N2S/c1-2-15-36(16-3-1)53(37-31-29-35(30-32-37)38-23-14-24-46-45-22-9-13-28-51(45)55-52(38)46)50-34-33-40(39-17-4-5-18-41(39)50)42-19-6-10-25-47(42)54-48-26-11-7-20-43(48)44-21-8-12-27-49(44)54/h1-34H
InChIKeyLYTQTDBCLCUBKR-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

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

4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine (PubChem CID 167227684) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine
PubChem CID167227684
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C52H34N2S/c1-2-15-36(16-3-1)53(37-31-29-35(30-32-37)38-23-14-24-46-45-22-9-13-28-51(45)55-52(38)46)50-34-33-40(39-17-4-5-18-41(39)50)42-19-6-10-25-47(42)54-48-26-11-7-20-43(48)44-21-8-12-27-49(44)54/h1-34H
InChIKeyLYTQTDBCLCUBKR-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-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 155396548
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227669
N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine
CID 167227767
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167234223
4-(2-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167227694
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 156520642
N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227701
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227719
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine
CID 88988857
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
CID 163563367

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine (CID 167227684) is 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c3ccccc23)cc1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine?
The InChIKey is LYTQTDBCLCUBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-2-15-36(16-3-1)53(37-31-29-35(30-32-37)38-23-14-24-46-45-22-9-13-28-51(45)55-52(38)46)50-34-33-40(39-17-4-5-18-41(39)50)42-19-6-10-25-47(42)54-48-26-11-7-20-43(48)44-21-8-12-27-49(44)54/h1-34H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine?
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-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 4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 167227684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).