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

C54H34N2OS — CID 168814676

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc32)cc1
InChIInChI=1S/C54H34N2OS/c1-2-12-37(13-3-1)56-47-19-7-4-14-43(47)44-33-32-40(34-48(44)56)55(38-28-24-35(25-29-38)41-17-10-21-50-53(41)45-15-5-8-20-49(45)57-50)39-30-26-36(27-31-39)42-18-11-23-52-54(42)46-16-6-9-22-51(46)58-52/h1-34H
InChIKeyABIRGALVMXQRBS-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.85
Rot. Bonds6

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

N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine (PubChem CID 168814676) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine
PubChem CID168814676
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc32)cc1
InChIInChI=1S/C54H34N2OS/c1-2-12-37(13-3-1)56-47-19-7-4-14-43(47)44-33-32-40(34-48(44)56)55(38-28-24-35(25-29-38)41-17-10-21-50-53(41)45-15-5-8-20-49(45)57-50)39-30-26-36(27-31-39)42-18-11-23-52-54(42)46-16-6-9-22-51(46)58-52/h1-34H
InChIKeyABIRGALVMXQRBS-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-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009610
N-(4-dibenzofuran-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010360
3-carbazol-9-yl-N-(4-dibenzofuran-1-ylphenyl)-N-phenylaniline
CID 155397910
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
N-(4-dibenzothiophen-1-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788998
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)aniline
CID 155397977
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline
CID 155398018
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649256
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 155398223
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398444
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline
CID 164835604
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939262

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine (CID 168814676) is N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine?
The InChIKey is ABIRGALVMXQRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-2-12-37(13-3-1)56-47-19-7-4-14-43(47)44-33-32-40(34-48(44)56)55(38-28-24-35(25-29-38)41-17-10-21-50-53(41)45-15-5-8-20-49(45)57-50)39-30-26-36(27-31-39)42-18-11-23-52-54(42)46-16-6-9-22-51(46)58-52/h1-34H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-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-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 168814676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).