N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine

C48H34N2S — CID 155396631

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine
SMILESC1=CCCC(c2cccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3cccc4sc5ccccc5c34)c2)=C1
InChIInChI=1S/C48H34N2S/c1-2-14-33(15-3-1)35-16-12-17-37(32-35)49(45-25-13-27-47-48(45)41-21-7-11-26-46(41)51-47)36-30-28-34(29-31-36)38-18-4-8-22-42(38)50-43-23-9-5-19-39(43)40-20-6-10-24-44(40)50/h1-2,4-14,16-32H,3,15H2
InChIKeyUKZNKNSJWIGTIJ-UHFFFAOYSA-N
MW670.88 g/mol
LogP14.02
Rot. Bonds6

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine (PubChem CID 155396631) has the molecular formula C48H34N2S and a molecular weight of 670.88 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine
PubChem CID155396631
Molecular FormulaC48H34N2S
Molecular Weight670.88 g/mol
Exact Mass670.24
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine
SMILESC1=CCCC(c2cccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3cccc4sc5ccccc5c34)c2)=C1
InChIInChI=1S/C48H34N2S/c1-2-14-33(15-3-1)35-16-12-17-37(32-35)49(45-25-13-27-47-48(45)41-21-7-11-26-46(41)51-47)36-30-28-34(29-31-36)38-18-4-8-22-42(38)50-43-23-9-5-19-39(43)40-20-6-10-24-44(40)50/h1-2,4-14,16-32H,3,15H2
InChIKeyUKZNKNSJWIGTIJ-UHFFFAOYSA-N
XLogP14.02
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.88
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
CID 155396619
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322840
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-dibenzothiophen-2-yl-N-(3-dibenzothiophen-2-ylphenyl)aniline
CID 154955078
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322390
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 168809308
N-[3-(9-dibenzothiophen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 162175393
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine
CID 167322830
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-1-yldibenzofuran-4-amine
CID 167322750
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-2-phenylaniline
CID 155396593

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine (CID 155396631) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine is C1=CCCC(c2cccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3cccc4sc5ccccc5c34)c2)=C1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine?
The InChIKey is UKZNKNSJWIGTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2S/c1-2-14-33(15-3-1)35-16-12-17-37(32-35)49(45-25-13-27-47-48(45)41-21-7-11-26-46(41)51-47)36-30-28-34(29-31-36)38-18-4-8-22-42(38)50-43-23-9-5-19-39(43)40-20-6-10-24-44(40)50/h1-2,4-14,16-32H,3,15H2.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine has a molecular weight of 670.88 g/mol, XLogP of 14.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 155396631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).