3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline

C54H35NO — CID 167144563

IUPAC3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
SMILESc1ccc(-c2cc3c4ccc(-c5ccc(N(c6ccccc6)c6cccc(-c7ccc8c(ccc9ccccc98)c7)c6)cc5)cc4oc3c3ccccc23)cc1
InChIInChI=1S/C54H35NO/c1-3-12-37(13-4-1)51-35-52-49-31-27-41(34-53(49)56-54(52)50-21-10-9-20-48(50)51)36-24-28-44(29-25-36)55(43-16-5-2-6-17-43)45-18-11-15-39(33-45)40-26-30-47-42(32-40)23-22-38-14-7-8-19-46(38)47/h1-35H
InChIKeyMOEDDYRGPUFUAM-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About 3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline

3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline (PubChem CID 167144563) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is 3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline.

Molecular Properties

Compound Name3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
PubChem CID167144563
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC Name3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
SMILESc1ccc(-c2cc3c4ccc(-c5ccc(N(c6ccccc6)c6cccc(-c7ccc8c(ccc9ccccc98)c7)c6)cc5)cc4oc3c3ccccc23)cc1
InChIInChI=1S/C54H35NO/c1-3-12-37(13-4-1)51-35-52-49-31-27-41(34-53(49)56-54(52)50-21-10-9-20-48(50)51)36-24-28-44(29-25-36)55(43-16-5-2-6-17-43)45-18-11-15-39(33-45)40-26-30-47-42(32-40)23-22-38-14-7-8-19-46(38)47/h1-35H
InChIKeyMOEDDYRGPUFUAM-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
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-phenanthren-9-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167143588
N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]aniline
CID 167143212
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 167402145
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167143783
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167690264
N-(4-benzo[c]phenanthren-6-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
CID 167184244
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-chrysen-3-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170131049
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958

Frequently Asked Questions

What is the IUPAC name of 3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline?
The IUPAC name of 3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline (CID 167144563) is 3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline.
What is the SMILES notation for 3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline?
The canonical SMILES for 3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline is c1ccc(-c2cc3c4ccc(-c5ccc(N(c6ccccc6)c6cccc(-c7ccc8c(ccc9ccccc98)c7)c6)cc5)cc4oc3c3ccccc23)cc1.
What is the InChIKey of 3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline?
The InChIKey is MOEDDYRGPUFUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-3-12-37(13-4-1)51-35-52-49-31-27-41(34-53(49)56-54(52)50-21-10-9-20-48(50)51)36-24-28-44(29-25-36)55(43-16-5-2-6-17-43)45-18-11-15-39(33-45)40-26-30-47-42(32-40)23-22-38-14-7-8-19-46(38)47/h1-35H.
What are the key properties of 3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline?
3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline is sourced from PubChem (CID 167144563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).