N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline

C52H34N2O — CID 167330483

IUPACN-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)c3ccccc3-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C52H34N2O/c1-2-16-35(17-3-1)37-19-14-20-38(34-37)53(48-29-12-13-30-49(48)54-46-27-10-6-22-40(46)41-23-7-11-28-47(41)54)45-26-9-8-24-42(45)43-25-15-31-50-51(43)44-33-32-36-18-4-5-21-39(36)52(44)55-50/h1-34H
InChIKeyHGBIIYXBRZNGKG-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline

N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline (PubChem CID 167330483) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
PubChem CID167330483
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)c3ccccc3-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C52H34N2O/c1-2-16-35(17-3-1)37-19-14-20-38(34-37)53(48-29-12-13-30-49(48)54-46-27-10-6-22-40(46)41-23-7-11-28-47(41)54)45-26-9-8-24-42(45)43-25-15-31-50-51(43)44-33-32-36-18-4-5-21-39(36)52(44)55-50/h1-34H
InChIKeyHGBIIYXBRZNGKG-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]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330638
2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 167330267
N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 166939807
N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167324791
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330277
N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167326322
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-[4-[4-[2-[2-(N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 166939041
N-(2-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738214
N-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167329843
2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331209
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-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline?
The IUPAC name of N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline (CID 167330483) is N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)c3ccccc3-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline?
The InChIKey is HGBIIYXBRZNGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-16-35(17-3-1)37-19-14-20-38(34-37)53(48-29-12-13-30-49(48)54-46-27-10-6-22-40(46)41-23-7-11-28-47(41)54)45-26-9-8-24-42(45)43-25-15-31-50-51(43)44-33-32-36-18-4-5-21-39(36)52(44)55-50/h1-34H.
What are the key properties of N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline?
N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline 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-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 167330483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).