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

C52H34N2O — CID 167330638

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C52H34N2O/c1-2-16-37(17-3-1)53(47-25-11-9-22-43(47)44-23-14-28-50-51(44)45-34-31-35-15-4-5-19-40(35)52(45)55-50)38-32-29-36(30-33-38)39-18-6-10-24-46(39)54-48-26-12-7-20-41(48)42-21-8-13-27-49(42)54/h1-34H
InChIKeyCEKLGXWKFXKZSB-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

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

N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline (PubChem CID 167330638) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
PubChem CID167330638
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C52H34N2O/c1-2-16-37(17-3-1)53(47-25-11-9-22-43(47)44-23-14-28-50-51(44)45-34-31-35-15-4-5-19-40(35)52(45)55-50)38-32-29-36(30-33-38)39-18-6-10-24-46(39)54-48-26-12-7-20-41(48)42-21-8-13-27-49(42)54/h1-34H
InChIKeyCEKLGXWKFXKZSB-UHFFFAOYSA-N
XLogP14.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167330639
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330569
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167329361
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739680
N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330483
N-(4-dibenzofuran-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 166938688
2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331209
2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 167330267
N-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167329843
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330481
N-(4-dibenzofuran-4-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 166938692
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939681

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline (CID 167330638) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline is c1ccc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline?
The InChIKey is CEKLGXWKFXKZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-16-37(17-3-1)53(47-25-11-9-22-43(47)44-23-14-28-50-51(44)45-34-31-35-15-4-5-19-40(35)52(45)55-50)38-32-29-36(30-33-38)39-18-6-10-24-46(39)54-48-26-12-7-20-41(48)42-21-8-13-27-49(42)54/h1-34H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline has a molecular weight of 702.86 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline is sourced from PubChem (CID 167330638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).