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

C58H36N2OS — CID 171738541

IUPACN-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccccc5-c5ccc6c(c5)sc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C58H36N2OS/c1-2-14-41(15-3-1)59-51-21-10-7-18-45(51)49-35-39(29-34-52(49)59)37-25-30-42(31-26-37)60(53-22-12-23-54-57(53)48-33-27-38-13-4-5-17-44(38)58(48)61-54)50-20-9-6-16-43(50)40-28-32-47-46-19-8-11-24-55(46)62-56(47)36-40/h1-36H
InChIKeyFFJJCIGYBLTWNJ-UHFFFAOYSA-N
MW809.01 g/mol
LogP17.01
Rot. Bonds6

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

N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738541) has the molecular formula C58H36N2OS and a molecular weight of 809.01 g/mol. Its IUPAC name is N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738541
Molecular FormulaC58H36N2OS
Molecular Weight809.01 g/mol
Exact Mass808.25
IUPAC NameN-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccccc5-c5ccc6c(c5)sc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C58H36N2OS/c1-2-14-41(15-3-1)59-51-21-10-7-18-45(51)49-35-39(29-34-52(49)59)37-25-30-42(31-26-37)60(53-22-12-23-54-57(53)48-33-27-38-13-4-5-17-44(38)58(48)61-54)50-20-9-6-16-43(50)40-28-32-47-46-19-8-11-24-55(46)62-56(47)36-40/h1-36H
InChIKeyFFJJCIGYBLTWNJ-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-1-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737389
N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737873
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-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738810
N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737323
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738867
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737951
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738145
N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine
CID 177122068
2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167330444

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171738541) is N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccccc5-c5ccc6c(c5)sc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)cc4)ccc32)cc1.
What is the InChIKey of N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is FFJJCIGYBLTWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2OS/c1-2-14-41(15-3-1)59-51-21-10-7-18-45(51)49-35-39(29-34-52(49)59)37-25-30-42(31-26-37)60(53-22-12-23-54-57(53)48-33-27-38-13-4-5-17-44(38)58(48)61-54)50-20-9-6-16-43(50)40-28-32-47-46-19-8-11-24-55(46)62-56(47)36-40/h1-36H.
What are the key properties of N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(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-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).