2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline

C56H39NO — CID 174270374

IUPAC2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
SMILESC1=CCC2C(=C1)Oc1cc3ccccc3c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c12
InChIInChI=1S/C56H39NO/c1-2-13-38(14-3-1)40-29-33-45(34-30-40)57(46-35-31-41(32-36-46)39-25-27-43(28-26-39)48-22-12-17-42-15-4-6-18-47(42)48)52-23-10-8-20-50(52)55-49-19-7-5-16-44(49)37-54-56(55)51-21-9-11-24-53(51)58-54/h1-20,22-37,51H,21H2
InChIKeyGGQNTUHKUZCTDZ-UHFFFAOYSA-N
MW741.93 g/mol
LogP15.45
Rot. Bonds7

About 2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline

2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 174270374) has the molecular formula C56H39NO and a molecular weight of 741.93 g/mol. Its IUPAC name is 2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID174270374
Molecular FormulaC56H39NO
Molecular Weight741.93 g/mol
Exact Mass741.30
IUPAC Name2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
SMILESC1=CCC2C(=C1)Oc1cc3ccccc3c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c12
InChIInChI=1S/C56H39NO/c1-2-13-38(14-3-1)40-29-33-45(34-30-40)57(46-35-31-41(32-36-46)39-25-27-43(28-26-39)48-22-12-17-42-15-4-6-18-47(42)48)52-23-10-8-20-50(52)55-49-19-7-5-16-44(49)37-54-56(55)51-21-9-11-24-53(51)58-54/h1-20,22-37,51H,21H2
InChIKeyGGQNTUHKUZCTDZ-UHFFFAOYSA-N
XLogP15.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.93
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzo[c]phenanthren-6-yl-N-(3,4-diphenylphenyl)-9,9a-dihydrodibenzofuran-1-amine
CID 170227731
N-[4-(9,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 170227433
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
N-phenyl-N-[4-(2-phenyl-10,10a-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]dibenzofuran-4-amine
CID 167123024
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274764
N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 172501318
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168791070
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398836

Frequently Asked Questions

What is the IUPAC name of 2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline (CID 174270374) is 2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline is C1=CCC2C(=C1)Oc1cc3ccccc3c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c12.
What is the InChIKey of 2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is GGQNTUHKUZCTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NO/c1-2-13-38(14-3-1)40-29-33-45(34-30-40)57(46-35-31-41(32-36-46)39-25-27-43(28-26-39)48-22-12-17-42-15-4-6-18-47(42)48)52-23-10-8-20-50(52)55-49-19-7-5-16-44(49)37-54-56(55)51-21-9-11-24-53(51)58-54/h1-20,22-37,51H,21H2.
What are the key properties of 2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline?
2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 741.93 g/mol, XLogP of 15.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 174270374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).