9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine

C44H29NO — CID 172508788

IUPAC9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cccc(-c6ccc7ccc8ccccc8c7c6)c5c4c3)cc2)cc1
InChIInChI=1S/C44H29NO/c1-3-10-30(11-4-1)31-22-24-36(25-23-31)45(35-13-5-2-6-14-35)37-26-27-42-41(29-37)44-39(16-9-17-43(44)46-42)34-21-20-33-19-18-32-12-7-8-15-38(32)40(33)28-34/h1-29H
InChIKeyMPKQAUTXRWQGFY-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About 9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine

9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 172508788) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is 9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID172508788
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC Name9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cccc(-c6ccc7ccc8ccccc8c7c6)c5c4c3)cc2)cc1
InChIInChI=1S/C44H29NO/c1-3-10-30(11-4-1)31-22-24-36(25-23-31)45(35-13-5-2-6-14-35)37-26-27-42-41(29-37)44-39(16-9-17-43(44)46-42)34-21-20-33-19-18-32-12-7-8-15-38(32)40(33)28-34/h1-29H
InChIKeyMPKQAUTXRWQGFY-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
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

3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810427
3-dibenzofuran-1-yl-N-(3-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810276
9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 166055376
N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170001218
N-(4-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-3-ylphenyl)aniline
CID 176810727
8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
CID 130208127
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine
CID 166055468
3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]aniline
CID 176810726
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 170535097
N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805044
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-3-ylphenyl)aniline
CID 176810722

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 172508788) is 9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cccc(-c6ccc7ccc8ccccc8c7c6)c5c4c3)cc2)cc1.
What is the InChIKey of 9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is MPKQAUTXRWQGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-3-10-30(11-4-1)31-22-24-36(25-23-31)45(35-13-5-2-6-14-35)37-26-27-42-41(29-37)44-39(16-9-17-43(44)46-42)34-21-20-33-19-18-32-12-7-8-15-38(32)40(33)28-34/h1-29H.
What are the key properties of 9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine?
9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 172508788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).