N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine

C54H34N2OS — CID 170666332

IUPACN-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4oc5ccccc5c34)c2-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C54H34N2OS/c1-3-16-35(17-4-1)38-23-13-26-46(52(38)42-24-14-31-51-53(42)41-22-9-12-30-50(41)58-51)56(47-27-15-29-49-54(47)40-21-8-11-28-48(40)57-49)37-32-33-45-43(34-37)39-20-7-10-25-44(39)55(45)36-18-5-2-6-19-36/h1-34H
InChIKeyIKZWEFNZCOXJLA-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.85
Rot. Bonds6

About N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine

N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine (PubChem CID 170666332) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
PubChem CID170666332
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC NameN-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4oc5ccccc5c34)c2-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C54H34N2OS/c1-3-16-35(17-4-1)38-23-13-26-46(52(38)42-24-14-31-51-53(42)41-22-9-12-30-50(41)58-51)56(47-27-15-29-49-54(47)40-21-8-11-28-48(40)57-49)37-32-33-45-43(34-37)39-20-7-10-25-44(39)55(45)36-18-5-2-6-19-36/h1-34H
InChIKeyIKZWEFNZCOXJLA-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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Launch Full Analysis

Related Compounds

N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzofuran-5-yl-9-phenylcarbazol-3-amine
CID 170034293
N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170666257
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041496
N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
CID 170298457
N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042143
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042216
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine
CID 170041494
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814676
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790977
N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577647
N-(4-dibenzothiophen-1-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788998

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine (CID 170666332) is N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4oc5ccccc5c34)c2-c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine?
The InChIKey is IKZWEFNZCOXJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-3-16-35(17-4-1)38-23-13-26-46(52(38)42-24-14-31-51-53(42)41-22-9-12-30-50(41)58-51)56(47-27-15-29-49-54(47)40-21-8-11-28-48(40)57-49)37-32-33-45-43(34-37)39-20-7-10-25-44(39)55(45)36-18-5-2-6-19-36/h1-34H.
What are the key properties of N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine?
N-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-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-dibenzofuran-1-yl-N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 170666332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).