N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine

C39H27NO2 — CID 163686857

IUPACN-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine
SMILESC=CCc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2cc(-c4ccccc4)ccc23)cc1
InChIInChI=1S/C39H27NO2/c1-2-8-26-13-16-29(17-14-26)40(30-18-21-34-32-11-6-7-12-36(32)41-38(34)24-30)31-19-22-35-33-20-15-28(27-9-4-3-5-10-27)23-37(33)42-39(35)25-31/h2-7,9-25H,1,8H2
InChIKeyJPPIWLOLQXZPRZ-UHFFFAOYSA-N
MW541.65 g/mol
LogP11.35
Rot. Bonds6

About N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine

N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine (PubChem CID 163686857) has the molecular formula C39H27NO2 and a molecular weight of 541.65 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine
PubChem CID163686857
Molecular FormulaC39H27NO2
Molecular Weight541.65 g/mol
Exact Mass541.20
IUPAC NameN-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine
SMILESC=CCc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2cc(-c4ccccc4)ccc23)cc1
InChIInChI=1S/C39H27NO2/c1-2-8-26-13-16-29(17-14-26)40(30-18-21-34-32-11-6-7-12-36(32)41-38(34)24-30)31-19-22-35-33-20-15-28(27-9-4-3-5-10-27)23-37(33)42-39(35)25-31/h2-7,9-25H,1,8H2
InChIKeyJPPIWLOLQXZPRZ-UHFFFAOYSA-N
XLogP11.35
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 88567948
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine (CID 163686857) is N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine is C=CCc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2cc(-c4ccccc4)ccc23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine?
The InChIKey is JPPIWLOLQXZPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NO2/c1-2-8-26-13-16-29(17-14-26)40(30-18-21-34-32-11-6-7-12-36(32)41-38(34)24-30)31-19-22-35-33-20-15-28(27-9-4-3-5-10-27)23-37(33)42-39(35)25-31/h2-7,9-25H,1,8H2.
What are the key properties of N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine?
N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine has a molecular weight of 541.65 g/mol, XLogP of 11.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 163686857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).