N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C58H36N2OS — CID 171739309

IUPACN-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5cccc(-c6ccc7c(c6)sc6ccccc67)c5)c5cccc6oc7c8ccccc8ccc7c56)c4)cccc32)cc1
InChIInChI=1S/C58H36N2OS/c1-2-17-41(18-3-1)60-50-25-8-6-23-48(50)56-44(24-12-26-51(56)60)40-16-11-20-43(35-40)59(52-27-13-28-53-57(52)49-33-30-37-14-4-5-21-45(37)58(49)61-53)42-19-10-15-38(34-42)39-31-32-47-46-22-7-9-29-54(46)62-55(47)36-39/h1-36H
InChIKeyLBGRSBYKCDMUMD-UHFFFAOYSA-N
MW809.01 g/mol
LogP17.01
Rot. Bonds6

About N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171739309) has the molecular formula C58H36N2OS and a molecular weight of 809.01 g/mol. Its IUPAC name is N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171739309
Molecular FormulaC58H36N2OS
Molecular Weight809.01 g/mol
Exact Mass808.25
IUPAC NameN-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5cccc(-c6ccc7c(c6)sc6ccccc67)c5)c5cccc6oc7c8ccccc8ccc7c56)c4)cccc32)cc1
InChIInChI=1S/C58H36N2OS/c1-2-17-41(18-3-1)60-50-25-8-6-23-48(50)56-44(24-12-26-51(56)60)40-16-11-20-43(35-40)59(52-27-13-28-53-57(52)49-33-30-37-14-4-5-21-45(37)58(49)61-53)42-19-10-15-38(34-42)39-31-32-47-46-22-7-9-29-54(46)62-55(47)36-39/h1-36H
InChIKeyLBGRSBYKCDMUMD-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

N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737351
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737389
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738743
N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737873
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737568
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737951
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738541
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737943
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738810
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737415
N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 171737636
N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738819

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171739309) is N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5cccc(-c6ccc7c(c6)sc6ccccc67)c5)c5cccc6oc7c8ccccc8ccc7c56)c4)cccc32)cc1.
What is the InChIKey of N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is LBGRSBYKCDMUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2OS/c1-2-17-41(18-3-1)60-50-25-8-6-23-48(50)56-44(24-12-26-51(56)60)40-16-11-20-43(35-40)59(52-27-13-28-53-57(52)49-33-30-37-14-4-5-21-45(37)58(49)61-53)42-19-10-15-38(34-42)39-31-32-47-46-22-7-9-29-54(46)62-55(47)36-39/h1-36H.
What are the key properties of N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-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 N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171739309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).