N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline

C54H35NO — CID 167402206

IUPACN-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
SMILESc1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5)c4oc3c3ccccc23)cc1
InChIInChI=1S/C54H35NO/c1-3-14-36(15-4-1)51-35-52-49-25-13-24-44(53(49)56-54(52)48-23-12-11-22-47(48)51)37-26-30-41(31-27-37)55(40-17-5-2-6-18-40)42-32-28-38(29-33-42)50-34-39-16-7-8-19-43(39)45-20-9-10-21-46(45)50/h1-35H
InChIKeyZWAAHWSWABLISK-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline

N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline (PubChem CID 167402206) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
PubChem CID167402206
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
SMILESc1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5)c4oc3c3ccccc23)cc1
InChIInChI=1S/C54H35NO/c1-3-14-36(15-4-1)51-35-52-49-25-13-24-44(53(49)56-54(52)48-23-12-11-22-47(48)51)37-26-30-41(31-27-37)55(40-17-5-2-6-18-40)42-32-28-38(29-33-42)50-34-39-16-7-8-19-43(39)45-20-9-10-21-46(45)50/h1-35H
InChIKeyZWAAHWSWABLISK-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-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641
N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 142614505
4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
CID 167143311
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167143588
N,N-diphenyl-4-(6-phenyldibenzofuran-4-yl)aniline;4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline;4-naphthalen-1-yl-N-phenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;N-phenanthren-9-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine
CID 158359450
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine
CID 168810031
2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167143735
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine
CID 167143711
4-dibenzothiophen-1-yl-N-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402076
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 167277671

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline (CID 167402206) is N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline is c1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5)c4oc3c3ccccc23)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline?
The InChIKey is ZWAAHWSWABLISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-3-14-36(15-4-1)51-35-52-49-25-13-24-44(53(49)56-54(52)48-23-12-11-22-47(48)51)37-26-30-41(31-27-37)55(40-17-5-2-6-18-40)42-32-28-38(29-33-42)50-34-39-16-7-8-19-43(39)45-20-9-10-21-46(45)50/h1-35H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline?
N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)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 N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline is sourced from PubChem (CID 167402206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).