N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline

C64H40N2OS — CID 167330569

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
SMILESc1ccc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)c(-c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C64H40N2OS/c1-2-17-48-41(15-1)35-40-54-62-52(23-13-28-59(62)67-64(48)54)51-20-6-9-25-56(51)65(45-38-33-43(34-39-45)47-22-14-30-61-63(47)53-21-7-12-29-60(53)68-61)44-36-31-42(32-37-44)46-16-3-8-24-55(46)66-57-26-10-4-18-49(57)50-19-5-11-27-58(50)66/h1-40H
InChIKeyXJKJWARZLBANAW-UHFFFAOYSA-N
MW885.10 g/mol
LogP18.67
Rot. Bonds7

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline (PubChem CID 167330569) has the molecular formula C64H40N2OS and a molecular weight of 885.10 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
PubChem CID167330569
Molecular FormulaC64H40N2OS
Molecular Weight885.10 g/mol
Exact Mass884.29
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
SMILESc1ccc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)c(-c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C64H40N2OS/c1-2-17-48-41(15-1)35-40-54-62-52(23-13-28-59(62)67-64(48)54)51-20-6-9-25-56(51)65(45-38-33-43(34-39-45)47-22-14-30-61-63(47)53-21-7-12-29-60(53)68-61)44-36-31-42(32-37-44)46-16-3-8-24-55(46)66-57-26-10-4-18-49(57)50-19-5-11-27-58(50)66/h1-40H
InChIKeyXJKJWARZLBANAW-UHFFFAOYSA-N
XLogP18.67
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.10
LogP ≤ 518.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330638
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330481
N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167330639
2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167330444
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939262
N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739542
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167329361
N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 166939807
N-(4-dibenzothiophen-4-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167329482
2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 167330267
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739680
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737389

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline (CID 167330569) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline is c1ccc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)c(-c2cccc3oc4c5ccccc5ccc4c23)c1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline?
The InChIKey is XJKJWARZLBANAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2OS/c1-2-17-48-41(15-1)35-40-54-62-52(23-13-28-59(62)67-64(48)54)51-20-6-9-25-56(51)65(45-38-33-43(34-39-45)47-22-14-30-61-63(47)53-21-7-12-29-60(53)68-61)44-36-31-42(32-37-44)46-16-3-8-24-55(46)66-57-26-10-4-18-49(57)50-19-5-11-27-58(50)66/h1-40H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline has a molecular weight of 885.10 g/mol, XLogP of 18.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline is sourced from PubChem (CID 167330569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).