4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine

C58H36N2OS — CID 176609970

IUPAC4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
SMILESc1ccc2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4sc5ccccc5c4c3)cccc2c1
InChIInChI=1S/C58H36N2OS/c1-2-15-43-37(13-1)14-11-24-52(43)59(40-31-27-38(28-32-40)44-20-12-21-49-47-18-5-9-25-55(47)61-57(44)49)42-35-50(58-51(36-42)48-19-6-10-26-56(48)62-58)39-29-33-41(34-30-39)60-53-22-7-3-16-45(53)46-17-4-8-23-54(46)60/h1-36H
InChIKeyJJXNVKZCCWGKBW-UHFFFAOYSA-N
MW809.01 g/mol
LogP17.01
Rot. Bonds6

About 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine

4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine (PubChem CID 176609970) has the molecular formula C58H36N2OS and a molecular weight of 809.01 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
PubChem CID176609970
Molecular FormulaC58H36N2OS
Molecular Weight809.01 g/mol
Exact Mass808.25
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
SMILESc1ccc2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4sc5ccccc5c4c3)cccc2c1
InChIInChI=1S/C58H36N2OS/c1-2-15-43-37(13-1)14-11-24-52(43)59(40-31-27-38(28-32-40)44-20-12-21-49-47-18-5-9-25-55(47)61-57(44)49)42-35-50(58-51(36-42)48-19-6-10-26-56(48)62-58)39-29-33-41(34-30-39)60-53-22-7-3-16-45(53)46-17-4-8-23-54(46)60/h1-36H
InChIKeyJJXNVKZCCWGKBW-UHFFFAOYSA-N
XLogP17.01
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.01
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 176608425
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 156521438
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 176608780
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 176607918
N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402344
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 176608553
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
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine
CID 176608109
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 156521401
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline;2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 163731199
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yl-4-(9-phenylcarbazol-3-yl)naphthalen-1-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzothiophen-4-amine
CID 157314765
N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane
CID 160555872

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine (CID 176609970) is 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine is c1ccc2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4sc5ccccc5c4c3)cccc2c1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine?
The InChIKey is JJXNVKZCCWGKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2OS/c1-2-15-43-37(13-1)14-11-24-52(43)59(40-31-27-38(28-32-40)44-20-12-21-49-47-18-5-9-25-55(47)61-57(44)49)42-35-50(58-51(36-42)48-19-6-10-26-56(48)62-58)39-29-33-41(34-30-39)60-53-22-7-3-16-45(53)46-17-4-8-23-54(46)60/h1-36H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine?
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine has a molecular weight of 809.01 g/mol, XLogP of 17.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine is sourced from PubChem (CID 176609970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).