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

C64H41N3S — CID 163770597

IUPACN-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(N(c5ccc6sc7ccccc7c6c5)c5cccc6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C64H41N3S/c1-2-17-47(18-3-1)66-61-26-12-8-22-54(61)56-40-44(31-35-62(56)66)46-37-45(42-29-32-48(33-30-42)67-59-24-10-6-20-52(59)53-21-7-11-25-60(53)67)38-50(39-46)65(58-27-14-16-43-15-4-5-19-51(43)58)49-34-36-64-57(41-49)55-23-9-13-28-63(55)68-64/h1-41H
InChIKeyMGBSRDUKIJNSLZ-UHFFFAOYSA-N
MW884.12 g/mol
LogP18.21
Rot. Bonds7

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

N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine (PubChem CID 163770597) has the molecular formula C64H41N3S and a molecular weight of 884.12 g/mol. Its IUPAC name is N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
PubChem CID163770597
Molecular FormulaC64H41N3S
Molecular Weight884.12 g/mol
Exact Mass883.30
IUPAC NameN-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(N(c5ccc6sc7ccccc7c6c5)c5cccc6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C64H41N3S/c1-2-17-47(18-3-1)66-61-26-12-8-22-54(61)56-40-44(31-35-62(56)66)46-37-45(42-29-32-48(33-30-42)67-59-24-10-6-20-52(59)53-21-7-11-25-60(53)67)38-50(39-46)65(58-27-14-16-43-15-4-5-19-51(43)58)49-34-36-64-57(41-49)55-23-9-13-28-63(55)68-64/h1-41H
InChIKeyMGBSRDUKIJNSLZ-UHFFFAOYSA-N
XLogP18.21
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.12
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine
CID 137493834
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine
CID 90321241
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 88898950
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 88873441
N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 129085119
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809750
N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine
CID 89448236
6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine
CID 129194367
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine?
The IUPAC name of N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine (CID 163770597) is N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine.
What is the SMILES notation for N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine?
The canonical SMILES for N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine is c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(N(c5ccc6sc7ccccc7c6c5)c5cccc6ccccc56)c4)ccc32)cc1.
What is the InChIKey of N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine?
The InChIKey is MGBSRDUKIJNSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3S/c1-2-17-47(18-3-1)66-61-26-12-8-22-54(61)56-40-44(31-35-62(56)66)46-37-45(42-29-32-48(33-30-42)67-59-24-10-6-20-52(59)53-21-7-11-25-60(53)67)38-50(39-46)65(58-27-14-16-43-15-4-5-19-51(43)58)49-34-36-64-57(41-49)55-23-9-13-28-63(55)68-64/h1-41H.
What are the key properties of N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine?
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine has a molecular weight of 884.12 g/mol, XLogP of 18.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine is sourced from PubChem (CID 163770597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).