N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine

C56H34N2OS — CID 156521401

IUPACN-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine
SMILESc1ccc2cc(N(c3ccc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4sc4ccccc45)cc3)c3cccc4c3oc3ccccc34)ccc2c1
InChIInChI=1S/C56H34N2OS/c1-2-13-37-30-41(29-24-35(37)12-1)57(51-21-11-19-46-44-17-6-9-22-53(44)59-55(46)51)40-27-25-36(26-28-40)47-33-42(34-49-45-18-7-10-23-54(45)60-56(47)49)58-50-20-8-5-16-43(50)48-31-38-14-3-4-15-39(38)32-52(48)58/h1-34H
InChIKeyRHZIISNCMHJOKU-UHFFFAOYSA-N
MW782.97 g/mol
LogP16.49
Rot. Bonds5

About N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine

N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine (PubChem CID 156521401) has the molecular formula C56H34N2OS and a molecular weight of 782.97 g/mol. Its IUPAC name is N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine
PubChem CID156521401
Molecular FormulaC56H34N2OS
Molecular Weight782.97 g/mol
Exact Mass782.24
IUPAC NameN-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine
SMILESc1ccc2cc(N(c3ccc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4sc4ccccc45)cc3)c3cccc4c3oc3ccccc34)ccc2c1
InChIInChI=1S/C56H34N2OS/c1-2-13-37-30-41(29-24-35(37)12-1)57(51-21-11-19-46-44-17-6-9-22-53(44)59-55(46)51)40-27-25-36(26-28-40)47-33-42(34-49-45-18-7-10-23-54(45)60-56(47)49)58-50-20-8-5-16-43(50)48-31-38-14-3-4-15-39(38)32-52(48)58/h1-34H
InChIKeyRHZIISNCMHJOKU-UHFFFAOYSA-N
XLogP16.49
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.97
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 156521438
N-dibenzofuran-4-yl-N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814483
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 156521135
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 156520876
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 176609970
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 158765488
N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 166591704
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 166591724
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine
CID 156520484
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine
CID 176609519
N-(4-dibenzofuran-2-ylphenyl)-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-phenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-phenylaniline;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 160887228
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-naphthalen-1-yl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 158022912

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine?
The IUPAC name of N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine (CID 156521401) is N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine.
What is the SMILES notation for N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine?
The canonical SMILES for N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine is c1ccc2cc(N(c3ccc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4sc4ccccc45)cc3)c3cccc4c3oc3ccccc34)ccc2c1.
What is the InChIKey of N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine?
The InChIKey is RHZIISNCMHJOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2OS/c1-2-13-37-30-41(29-24-35(37)12-1)57(51-21-11-19-46-44-17-6-9-22-53(44)59-55(46)51)40-27-25-36(26-28-40)47-33-42(34-49-45-18-7-10-23-54(45)60-56(47)49)58-50-20-8-5-16-43(50)48-31-38-14-3-4-15-39(38)32-52(48)58/h1-34H.
What are the key properties of N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine?
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine has a molecular weight of 782.97 g/mol, XLogP of 16.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine is sourced from PubChem (CID 156521401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).