N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine

C54H36N2OS — CID 168814554

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine
SMILESC1=c2c(sc3ccccc23)=C(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)CC1
InChIInChI=1S/C54H36N2OS/c1-2-12-38(13-3-1)56-48-20-7-4-14-42(48)43-33-28-37(34-50(43)56)35-24-29-39(30-25-35)55(49-21-11-19-47-45-16-6-9-23-52(45)58-54(47)49)40-31-26-36(27-32-40)41-17-10-18-46-44-15-5-8-22-51(44)57-53(41)46/h1-10,12-20,22-34H,11,21H2
InChIKeyRFVDMIYJJAWHOV-UHFFFAOYSA-N
MW760.96 g/mol
LogP13.75
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine (PubChem CID 168814554) has the molecular formula C54H36N2OS and a molecular weight of 760.96 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine
PubChem CID168814554
Molecular FormulaC54H36N2OS
Molecular Weight760.96 g/mol
Exact Mass760.25
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine
SMILESC1=c2c(sc3ccccc23)=C(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)CC1
InChIInChI=1S/C54H36N2OS/c1-2-12-38(13-3-1)56-48-20-7-4-14-42(48)43-33-28-37(34-50(43)56)35-24-29-39(30-25-35)55(49-21-11-19-47-45-16-6-9-23-52(45)58-54(47)49)40-31-26-36(27-32-40)41-17-10-18-46-44-15-5-8-22-51(44)57-53(41)46/h1-10,12-20,22-34H,11,21H2
InChIKeyRFVDMIYJJAWHOV-UHFFFAOYSA-N
XLogP13.75
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.96
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline
CID 168804920
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118640922
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814780
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N,N-bis(4-dibenzofuran-4-ylphenyl)-3-phenylaniline;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;N-(4-methylphenyl)-N-[4-[4-(4-methyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine;N-phenyl-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine;N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 165070731
N-(4-dibenzothiophen-1-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805112
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 118402476
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
3-dibenzofuran-4-yl-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 121443723
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 169073634

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine (CID 168814554) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine is C1=c2c(sc3ccccc23)=C(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)CC1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine?
The InChIKey is RFVDMIYJJAWHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2OS/c1-2-12-38(13-3-1)56-48-20-7-4-14-42(48)43-33-28-37(34-50(43)56)35-24-29-39(30-25-35)55(49-21-11-19-47-45-16-6-9-23-52(45)58-54(47)49)40-31-26-36(27-32-40)41-17-10-18-46-44-15-5-8-22-51(44)57-53(41)46/h1-10,12-20,22-34H,11,21H2.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine has a molecular weight of 760.96 g/mol, XLogP of 13.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2,3-dihydrodibenzothiophen-4-amine is sourced from PubChem (CID 168814554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).