N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C55H35NOS — CID 169021968

IUPACN-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C55H35NOS/c1-3-15-36(16-4-1)37-29-31-39(32-30-37)56(50-27-14-23-46-44-21-9-12-28-52(44)58-54(46)50)40-33-34-43-45-22-13-26-49(53(45)57-51(43)35-40)55(38-17-5-2-6-18-38)47-24-10-7-19-41(47)42-20-8-11-25-48(42)55/h1-35H
InChIKeyVYUFQAOSLVFVKP-UHFFFAOYSA-N
MW757.96 g/mol
LogP15.45
Rot. Bonds6

About N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 169021968) has the molecular formula C55H35NOS and a molecular weight of 757.96 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID169021968
Molecular FormulaC55H35NOS
Molecular Weight757.96 g/mol
Exact Mass757.24
IUPAC NameN-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C55H35NOS/c1-3-15-36(16-4-1)37-29-31-39(32-30-37)56(50-27-14-23-46-44-21-9-12-28-52(44)58-54(46)50)40-33-34-43-45-22-13-26-49(53(45)57-51(43)35-40)55(38-17-5-2-6-18-38)47-24-10-7-19-41(47)42-20-8-11-25-48(42)55/h1-35H
InChIKeyVYUFQAOSLVFVKP-UHFFFAOYSA-N
XLogP15.45
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.96
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 158832712
4-dibenzofuran-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 161095184
N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 163990371
6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine
CID 163767703
N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022341
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 158701835
8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 170235198
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-4-amine
CID 121424914
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593263
N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine
CID 169022269
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 158532816

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 169021968) is N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is VYUFQAOSLVFVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NOS/c1-3-15-36(16-4-1)37-29-31-39(32-30-37)56(50-27-14-23-46-44-21-9-12-28-52(44)58-54(46)50)40-33-34-43-45-22-13-26-49(53(45)57-51(43)35-40)55(38-17-5-2-6-18-38)47-24-10-7-19-41(47)42-20-8-11-25-48(42)55/h1-35H.
What are the key properties of N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 757.96 g/mol, XLogP of 15.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 169021968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).