N-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine

C54H34N2OS — CID 164790673

IUPACN-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C54H34N2OS/c1-3-15-35(16-4-1)36-29-31-39(32-30-36)55(48-26-14-24-45-43-21-9-12-28-51(43)58-54(45)48)49-34-37(33-46-42-20-8-11-27-50(42)57-53(46)49)40-22-13-23-44-41-19-7-10-25-47(41)56(52(40)44)38-17-5-2-6-18-38/h1-34H
InChIKeySLBYIKQHTVCGJK-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.85
Rot. Bonds6

About N-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine

N-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 164790673) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID164790673
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC NameN-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C54H34N2OS/c1-3-15-35(16-4-1)36-29-31-39(32-30-36)55(48-26-14-24-45-43-21-9-12-28-51(43)58-54(45)48)49-34-37(33-46-42-20-8-11-27-50(42)57-53(46)49)40-22-13-23-44-41-19-7-10-25-47(41)56(52(40)44)38-17-5-2-6-18-38/h1-34H
InChIKeySLBYIKQHTVCGJK-UHFFFAOYSA-N
XLogP15.85
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.95
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
CID 164790736
N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine
CID 165040530
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 118405592
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 164991231
N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 140919317
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 168814614
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine
CID 165093056
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159292400
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-dibenzofuran-4-yl-N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814483
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzothiophen-4-amine
CID 161237437

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 164790673) is N-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is SLBYIKQHTVCGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-3-15-35(16-4-1)36-29-31-39(32-30-36)55(48-26-14-24-45-43-21-9-12-28-51(43)58-54(45)48)49-34-37(33-46-42-20-8-11-27-50(42)57-53(46)49)40-22-13-23-44-41-19-7-10-25-47(41)56(52(40)44)38-17-5-2-6-18-38/h1-34H.
What are the key properties of N-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 758.95 g/mol, XLogP of 15.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 164790673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).