N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine

C58H37NO — CID 176820574

IUPACN-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc5c4ccc4ccccc45)cc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C58H37NO/c1-2-13-38(14-3-1)48-36-35-47(57-53-21-10-11-24-56(53)60-58(48)57)40-25-30-43(31-26-40)59(55-23-12-22-50-45-17-6-4-15-39(45)29-34-52(50)55)44-32-27-41(28-33-44)54-37-42-16-5-7-18-46(42)49-19-8-9-20-51(49)54/h1-37H
InChIKeyMLHCVXNOOJDOCP-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.67
Rot. Bonds6

About N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine

N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine (PubChem CID 176820574) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
PubChem CID176820574
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc5c4ccc4ccccc45)cc3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C58H37NO/c1-2-13-38(14-3-1)48-36-35-47(57-53-21-10-11-24-56(53)60-58(48)57)40-25-30-43(31-26-40)59(55-23-12-22-50-45-17-6-4-15-39(45)29-34-52(50)55)44-32-27-41(28-33-44)54-37-42-16-5-7-18-46(42)49-19-8-9-20-51(49)54/h1-37H
InChIKeyMLHCVXNOOJDOCP-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 516.67
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-phenanthren-2-yl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
CID 176820936
N-phenanthren-1-yl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]dibenzofuran-2-amine
CID 176820979
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 176821352
N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820436
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(6-phenyldibenzothiophen-1-yl)phenyl]phenanthren-1-amine
CID 176821044
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820582
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
CID 176820875
N-phenanthren-3-yl-N-(4-phenanthren-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 168809808
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804010
N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176820885
N-(4-dibenzofuran-4-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 166939315

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine (CID 176820574) is N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc5c4ccc4ccccc45)cc3)c3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine?
The InChIKey is MLHCVXNOOJDOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-2-13-38(14-3-1)48-36-35-47(57-53-21-10-11-24-56(53)60-58(48)57)40-25-30-43(31-26-40)59(55-23-12-22-50-45-17-6-4-15-39(45)29-34-52(50)55)44-32-27-41(28-33-44)54-37-42-16-5-7-18-46(42)49-19-8-9-20-51(49)54/h1-37H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine?
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine has a molecular weight of 763.94 g/mol, XLogP of 16.67, 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-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine is sourced from PubChem (CID 176820574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).