N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline

C49H33NO2 — CID 170061980

IUPACN-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
SMILESC1=CCc2c(oc3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cccc23)C=C1
InChIInChI=1S/C49H33NO2/c1-3-11-33(12-4-1)34-21-27-37(28-22-34)50(39-31-25-36(26-32-39)41-16-10-18-45-43-14-7-8-20-47(43)52-49(41)45)38-29-23-35(24-30-38)40-15-9-17-44-42-13-5-2-6-19-46(42)51-48(40)44/h1-12,14-32H,13H2
InChIKeyUGURJLSZWINBLO-UHFFFAOYSA-N
MW667.81 g/mol
LogP13.93
Rot. Bonds6

About N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline

N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline (PubChem CID 170061980) has the molecular formula C49H33NO2 and a molecular weight of 667.81 g/mol. Its IUPAC name is N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
PubChem CID170061980
Molecular FormulaC49H33NO2
Molecular Weight667.81 g/mol
Exact Mass667.25
IUPAC NameN-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
SMILESC1=CCc2c(oc3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cccc23)C=C1
InChIInChI=1S/C49H33NO2/c1-3-11-33(12-4-1)34-21-27-37(28-22-34)50(39-31-25-36(26-32-39)41-16-10-18-45-43-14-7-8-20-47(43)52-49(41)45)38-29-23-35(24-30-38)40-15-9-17-44-42-13-5-2-6-19-46(42)51-48(40)44/h1-12,14-32H,13H2
InChIKeyUGURJLSZWINBLO-UHFFFAOYSA-N
XLogP13.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 138548317
4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenyl-N-[4-(6,7,8,9-tetrahydrodibenzofuran-4-yl)phenyl]aniline
CID 156569407
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-triphenylsilylphenyl)aniline
CID 123964845

Frequently Asked Questions

What is the IUPAC name of N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline?
The IUPAC name of N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline (CID 170061980) is N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline?
The canonical SMILES for N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline is C1=CCc2c(oc3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cccc23)C=C1.
What is the InChIKey of N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline?
The InChIKey is UGURJLSZWINBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO2/c1-3-11-33(12-4-1)34-21-27-37(28-22-34)50(39-31-25-36(26-32-39)41-16-10-18-45-43-14-7-8-20-47(43)52-49(41)45)38-29-23-35(24-30-38)40-15-9-17-44-42-13-5-2-6-19-46(42)51-48(40)44/h1-12,14-32H,13H2.
What are the key properties of N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline?
N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline has a molecular weight of 667.81 g/mol, XLogP of 13.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 170061980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).