N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine

C42H31NO — CID 142406198

IUPACN,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine
SMILESC1=Cc2c(oc3cc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c(-c4ccccc4)cc23)CC1
InChIInChI=1S/C42H31NO/c1-4-12-30(13-5-1)31-20-22-32(23-21-31)33-24-26-36(27-25-33)43(35-16-8-3-9-17-35)40-29-42-39(37-18-10-11-19-41(37)44-42)28-38(40)34-14-6-2-7-15-34/h1-10,12-18,20-29H,11,19H2
InChIKeyIRUASKPFDLSSHI-UHFFFAOYSA-N
MW565.72 g/mol
LogP11.86
Rot. Bonds6

About N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine

N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine (PubChem CID 142406198) has the molecular formula C42H31NO and a molecular weight of 565.72 g/mol. Its IUPAC name is N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine.

Molecular Properties

Compound NameN,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine
PubChem CID142406198
Molecular FormulaC42H31NO
Molecular Weight565.72 g/mol
Exact Mass565.24
IUPAC NameN,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine
SMILESC1=Cc2c(oc3cc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c(-c4ccccc4)cc23)CC1
InChIInChI=1S/C42H31NO/c1-4-12-30(13-5-1)31-20-22-32(23-21-31)33-24-26-36(27-25-33)43(35-16-8-3-9-17-35)40-29-42-39(37-18-10-11-19-41(37)44-42)28-38(40)34-14-6-2-7-15-34/h1-10,12-18,20-29H,11,19H2
InChIKeyIRUASKPFDLSSHI-UHFFFAOYSA-N
XLogP11.86
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-6,7-dihydrodibenzofuran-3-amine
CID 142406058
N-[4-(6,7-dihydrodibenzofuran-3-yl)phenyl]-3-(9,9-dimethylfluoren-3-yl)-N-phenylaniline
CID 156827193
2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277334
N-(6,7-dihydrodibenzofuran-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 131997661
3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848
5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 171752136
1-N,3-N,4,6-tetraphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 118603843
N-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 163703203
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline
CID 135277320
4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine
CID 118603870
N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146582237

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine?
The IUPAC name of N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine (CID 142406198) is N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine.
What is the SMILES notation for N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine?
The canonical SMILES for N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine is C1=Cc2c(oc3cc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c(-c4ccccc4)cc23)CC1.
What is the InChIKey of N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine?
The InChIKey is IRUASKPFDLSSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31NO/c1-4-12-30(13-5-1)31-20-22-32(23-21-31)33-24-26-36(27-25-33)43(35-16-8-3-9-17-35)40-29-42-39(37-18-10-11-19-41(37)44-42)28-38(40)34-14-6-2-7-15-34/h1-10,12-18,20-29H,11,19H2.
What are the key properties of N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine?
N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine has a molecular weight of 565.72 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 142406198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).