N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine

C62H40N2S — CID 122666236

IUPACN-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc6ccccc56)c4)c32)cc1
InChIInChI=1S/C62H40N2S/c1-2-18-49(19-3-1)64-59-25-10-8-21-54(59)56-24-13-23-53(62(56)64)48-37-47(46-32-35-61-57(40-46)55-22-9-11-27-60(55)65-61)38-51(39-48)63(58-26-12-17-43-15-6-7-20-52(43)58)50-33-30-42(31-34-50)45-29-28-41-14-4-5-16-44(41)36-45/h1-40H
InChIKeyDZCJAOCJAGASME-UHFFFAOYSA-N
MW845.08 g/mol
LogP17.93
Rot. Bonds7

About N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine

N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine (PubChem CID 122666236) has the molecular formula C62H40N2S and a molecular weight of 845.08 g/mol. Its IUPAC name is N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
PubChem CID122666236
Molecular FormulaC62H40N2S
Molecular Weight845.08 g/mol
Exact Mass844.29
IUPAC NameN-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc6ccccc56)c4)c32)cc1
InChIInChI=1S/C62H40N2S/c1-2-18-49(19-3-1)64-59-25-10-8-21-54(59)56-24-13-23-53(62(56)64)48-37-47(46-32-35-61-57(40-46)55-22-9-11-27-60(55)65-61)38-51(39-48)63(58-26-12-17-43-15-6-7-20-52(43)58)50-33-30-42(31-34-50)45-29-28-41-14-4-5-16-44(41)36-45/h1-40H
InChIKeyDZCJAOCJAGASME-UHFFFAOYSA-N
XLogP17.93
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.08
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 163770597
4-(3-carbazol-9-ylphenyl)-N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 159549899
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326177
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146577847
2-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790690
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 164967168
N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine
CID 164790553
N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 144990462
N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 118349368
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781351
1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146664119
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 167322385

Frequently Asked Questions

What is the IUPAC name of N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine (CID 122666236) is N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine is c1ccc(-n2c3ccccc3c3cccc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc6ccccc56)c4)c32)cc1.
What is the InChIKey of N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine?
The InChIKey is DZCJAOCJAGASME-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2S/c1-2-18-49(19-3-1)64-59-25-10-8-21-54(59)56-24-13-23-53(62(56)64)48-37-47(46-32-35-61-57(40-46)55-22-9-11-27-60(55)65-61)38-51(39-48)63(58-26-12-17-43-15-6-7-20-52(43)58)50-33-30-42(31-34-50)45-29-28-41-14-4-5-16-44(41)36-45/h1-40H.
What are the key properties of N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine?
N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine has a molecular weight of 845.08 g/mol, XLogP of 17.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-dibenzothiophen-2-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 122666236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).