N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline

C38H25NO — CID 139544912

IUPACN-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline
SMILESc1ccc2c(c1)ccc1cc(-c3ccc(Nc4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)ccc12
InChIInChI=1S/C38H25NO/c1-2-7-32-26(6-1)12-13-29-24-28(18-23-33(29)32)25-14-19-30(20-15-25)39-31-21-16-27(17-22-31)34-9-5-10-36-35-8-3-4-11-37(35)40-38(34)36/h1-24,39H
InChIKeyGZPIVFBVHKCIAK-UHFFFAOYSA-N
MW511.62 g/mol
LogP10.97
Rot. Bonds4

About N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline

N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline (PubChem CID 139544912) has the molecular formula C38H25NO and a molecular weight of 511.62 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline
PubChem CID139544912
Molecular FormulaC38H25NO
Molecular Weight511.62 g/mol
Exact Mass511.19
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline
SMILESc1ccc2c(c1)ccc1cc(-c3ccc(Nc4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)ccc12
InChIInChI=1S/C38H25NO/c1-2-7-32-26(6-1)12-13-29-24-28(18-23-33(29)32)25-14-19-30(20-15-25)39-31-21-16-27(17-22-31)34-9-5-10-36-35-8-3-4-11-37(35)40-38(34)36/h1-24,39H
InChIKeyGZPIVFBVHKCIAK-UHFFFAOYSA-N
XLogP10.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 510.97
H-Bond Donors ≤ 51
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-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 155374295
4-(9-phenanthren-2-ylchrysen-3-yl)dibenzofuran
CID 118520836
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114269
N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-4-amine
CID 172544746
4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran
CID 170289926
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine
CID 170131612
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine
CID 155119902
CID 174029907
CID 174029907
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 169278592
2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 168845004

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline (CID 139544912) is N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline is c1ccc2c(c1)ccc1cc(-c3ccc(Nc4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)ccc12.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline?
The InChIKey is GZPIVFBVHKCIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NO/c1-2-7-32-26(6-1)12-13-29-24-28(18-23-33(29)32)25-14-19-30(20-15-25)39-31-21-16-27(17-22-31)34-9-5-10-36-35-8-3-4-11-37(35)40-38(34)36/h1-24,39H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline?
N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline has a molecular weight of 511.62 g/mol, XLogP of 10.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline is sourced from PubChem (CID 139544912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).