N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine

C46H29NO — CID 166845878

IUPACN-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5oc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C46H29NO/c1-2-13-34-30(11-1)12-9-19-35(34)31-23-25-32(26-24-31)47(43-20-10-22-45-46(43)41-18-7-8-21-44(41)48-45)33-27-28-40-38-16-4-3-14-36(38)37-15-5-6-17-39(37)42(40)29-33/h1-29H
InChIKeyGQGIHKNBNVSGAH-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine

N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine (PubChem CID 166845878) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine
PubChem CID166845878
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5oc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C46H29NO/c1-2-13-34-30(11-1)12-9-19-35(34)31-23-25-32(26-24-31)47(43-20-10-22-45-46(43)41-18-7-8-21-44(41)48-45)33-27-28-40-38-16-4-3-14-36(38)37-15-5-6-17-39(37)42(40)29-33/h1-29H
InChIKeyGQGIHKNBNVSGAH-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.74
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170136843
N-benzo[c]phenanthren-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 167184393
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032080
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170137601
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 147363119
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenanthren-2-ylphenyl)dibenzofuran-1-amine
CID 176810349
N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810507
N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 170541911
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline
CID 176810443
N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738699

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine (CID 166845878) is N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine is c1ccc2c(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5oc6ccccc6c45)cc3)cccc2c1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine?
The InChIKey is GQGIHKNBNVSGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-2-13-34-30(11-1)12-9-19-35(34)31-23-25-32(26-24-31)47(43-20-10-22-45-46(43)41-18-7-8-21-44(41)48-45)33-27-28-40-38-16-4-3-14-36(38)37-15-5-6-17-39(37)42(40)29-33/h1-29H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine has a molecular weight of 611.74 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine is sourced from PubChem (CID 166845878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).