N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine

C54H36N2OS — CID 156520991

IUPACN-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine
SMILESC1=c2oc3cccc(N(c4ccccc4)c4ccc(-c5cc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc6c5sc5ccccc56)cc4)c3c2=CCC1
InChIInChI=1S/C54H36N2OS/c1-3-14-35(15-4-1)37-28-31-42-41-18-7-10-21-47(41)56(49(42)32-37)40-33-45(54-46(34-40)43-19-9-12-25-52(43)58-54)36-26-29-39(30-27-36)55(38-16-5-2-6-17-38)48-22-13-24-51-53(48)44-20-8-11-23-50(44)57-51/h1-7,9-10,12-34H,8,11H2
InChIKeyFRXIGYCYIATBEM-UHFFFAOYSA-N
MW760.96 g/mol
LogP14.06
Rot. Bonds6

About N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine

N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine (PubChem CID 156520991) has the molecular formula C54H36N2OS and a molecular weight of 760.96 g/mol. Its IUPAC name is N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine
PubChem CID156520991
Molecular FormulaC54H36N2OS
Molecular Weight760.96 g/mol
Exact Mass760.25
IUPAC NameN-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine
SMILESC1=c2oc3cccc(N(c4ccccc4)c4ccc(-c5cc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc6c5sc5ccccc56)cc4)c3c2=CCC1
InChIInChI=1S/C54H36N2OS/c1-3-14-35(15-4-1)37-28-31-42-41-18-7-10-21-47(41)56(49(42)32-37)40-33-45(54-46(34-40)43-19-9-12-25-52(43)58-54)36-26-29-39(30-27-36)55(38-16-5-2-6-17-38)48-22-13-24-51-53(48)44-20-8-11-23-50(44)57-51/h1-7,9-10,12-34H,8,11H2
InChIKeyFRXIGYCYIATBEM-UHFFFAOYSA-N
XLogP14.06
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 ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 166591724
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 156520876
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 156521456
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 156521438
2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 156520642
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 156521401
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine
CID 156520484
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline
CID 156520886
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 156521135
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
CID 156521073
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 168809308
4-(9-phenylcarbazol-2-yl)-9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;4-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 157394578

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine?
The IUPAC name of N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine (CID 156520991) is N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine.
What is the SMILES notation for N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine?
The canonical SMILES for N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine is C1=c2oc3cccc(N(c4ccccc4)c4ccc(-c5cc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc6c5sc5ccccc56)cc4)c3c2=CCC1.
What is the InChIKey of N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine?
The InChIKey is FRXIGYCYIATBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2OS/c1-3-14-35(15-4-1)37-28-31-42-41-18-7-10-21-47(41)56(49(42)32-37)40-33-45(54-46(34-40)43-19-9-12-25-52(43)58-54)36-26-29-39(30-27-36)55(38-16-5-2-6-17-38)48-22-13-24-51-53(48)44-20-8-11-23-50(44)57-51/h1-7,9-10,12-34H,8,11H2.
What are the key properties of N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine?
N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine has a molecular weight of 760.96 g/mol, XLogP of 14.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine is sourced from PubChem (CID 156520991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).