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

C52H34N2S — CID 176608715

IUPAC4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(sc4ccccc43)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C52H34N2S/c1-2-15-38(16-3-1)53(39-29-25-36(26-30-39)42-21-12-14-35-13-4-5-17-41(35)42)49-34-33-46-45-20-8-11-24-50(45)55-52(46)51(49)37-27-31-40(32-28-37)54-47-22-9-6-18-43(47)44-19-7-10-23-48(44)54/h1-34H
InChIKeyMRFFDPIHBAIWED-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

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

4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine (PubChem CID 176608715) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
PubChem CID176608715
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(sc4ccccc43)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C52H34N2S/c1-2-15-38(16-3-1)53(39-29-25-36(26-30-39)42-21-12-14-35-13-4-5-17-41(35)42)49-34-33-46-45-20-8-11-24-50(45)55-52(46)51(49)37-27-31-40(32-28-37)54-47-22-9-6-18-43(47)44-19-7-10-23-48(44)54/h1-34H
InChIKeyMRFFDPIHBAIWED-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-naphthalen-1-ylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-3-yl]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzothiophen-3-yl]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 159263484
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
CID 163563367
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164968900
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 146579330
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 146578511
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
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167234223
2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 156520642
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227684

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine (CID 176608715) is 4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(sc4ccccc43)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine?
The InChIKey is MRFFDPIHBAIWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-2-15-38(16-3-1)53(39-29-25-36(26-30-39)42-21-12-14-35-13-4-5-17-41(35)42)49-34-33-46-45-20-8-11-24-50(45)55-52(46)51(49)37-27-31-40(32-28-37)54-47-22-9-6-18-43(47)44-19-7-10-23-48(44)54/h1-34H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine?
4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-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-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 176608715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).