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

C58H36N2OS — CID 171738810

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5cccc6oc7c8ccccc8ccc7c56)c4)ccc32)cc1
InChIInChI=1S/C58H36N2OS/c1-2-15-41(16-3-1)60-51-23-8-6-19-46(51)50-36-40(30-34-52(50)60)39-14-10-17-43(35-39)59(53-24-12-25-54-56(53)49-33-29-37-13-4-5-18-44(37)57(49)61-54)42-31-27-38(28-32-42)45-21-11-22-48-47-20-7-9-26-55(47)62-58(45)48/h1-36H
InChIKeyJPJUIEUNCXPPNY-UHFFFAOYSA-N
MW809.01 g/mol
LogP17.01
Rot. Bonds6

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

N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738810) has the molecular formula C58H36N2OS and a molecular weight of 809.01 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738810
Molecular FormulaC58H36N2OS
Molecular Weight809.01 g/mol
Exact Mass808.25
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5cccc6oc7c8ccccc8ccc7c56)c4)ccc32)cc1
InChIInChI=1S/C58H36N2OS/c1-2-15-41(16-3-1)60-51-23-8-6-19-46(51)50-36-40(30-34-52(50)60)39-14-10-17-43(35-39)59(53-24-12-25-54-56(53)49-33-29-37-13-4-5-18-44(37)57(49)61-54)42-31-27-38(28-32-42)45-21-11-22-48-47-20-7-9-26-55(47)62-58(45)48/h1-36H
InChIKeyJPJUIEUNCXPPNY-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-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737873
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-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
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-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739309
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737260
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 118428329
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 167331264
N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739037
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738867

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171738810) is N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-n2c3ccccc3c3cc(-c4cccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5cccc6oc7c8ccccc8ccc7c56)c4)ccc32)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is JPJUIEUNCXPPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2OS/c1-2-15-41(16-3-1)60-51-23-8-6-19-46(51)50-36-40(30-34-52(50)60)39-14-10-17-43(35-39)59(53-24-12-25-54-56(53)49-33-29-37-13-4-5-18-44(37)57(49)61-54)42-31-27-38(28-32-42)45-21-11-22-48-47-20-7-9-26-55(47)62-58(45)48/h1-36H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-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-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).