2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine

C48H30N2S2 — CID 156520642

IUPAC2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cc(-n3c4ccccc4c4ccccc43)cc3c2sc2ccccc23)cc1
InChIInChI=1S/C48H30N2S2/c1-2-13-32(14-3-1)49(33-27-25-31(26-28-33)35-19-12-20-40-38-17-6-10-23-45(38)51-47(35)40)44-30-34(29-41-39-18-7-11-24-46(39)52-48(41)44)50-42-21-8-4-15-36(42)37-16-5-9-22-43(37)50/h1-30H
InChIKeyBYVFNNPKYHFCRX-UHFFFAOYSA-N
MW698.92 g/mol
LogP14.66
Rot. Bonds5

About 2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine

2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine (PubChem CID 156520642) has the molecular formula C48H30N2S2 and a molecular weight of 698.92 g/mol. Its IUPAC name is 2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound Name2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine
PubChem CID156520642
Molecular FormulaC48H30N2S2
Molecular Weight698.92 g/mol
Exact Mass698.19
IUPAC Name2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cc(-n3c4ccccc4c4ccccc43)cc3c2sc2ccccc23)cc1
InChIInChI=1S/C48H30N2S2/c1-2-13-32(14-3-1)49(33-27-25-31(26-28-33)35-19-12-20-40-38-17-6-10-23-45(38)51-47(35)40)44-30-34(29-41-39-18-7-11-24-46(39)52-48(41)44)50-42-21-8-4-15-36(42)37-16-5-9-22-43(37)50/h1-30H
InChIKeyBYVFNNPKYHFCRX-UHFFFAOYSA-N
XLogP14.66
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.92
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline
CID 156520886
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 156520876
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 155396548
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 89492129
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
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 156521456
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 146578511

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine?
The IUPAC name of 2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine (CID 156520642) is 2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for 2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for 2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine is c1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cc(-n3c4ccccc4c4ccccc43)cc3c2sc2ccccc23)cc1.
What is the InChIKey of 2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine?
The InChIKey is BYVFNNPKYHFCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S2/c1-2-13-32(14-3-1)49(33-27-25-31(26-28-33)35-19-12-20-40-38-17-6-10-23-45(38)51-47(35)40)44-30-34(29-41-39-18-7-11-24-46(39)52-48(41)44)50-42-21-8-4-15-36(42)37-16-5-9-22-43(37)50/h1-30H.
What are the key properties of 2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine?
2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine has a molecular weight of 698.92 g/mol, XLogP of 14.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 156520642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).