N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine

C58H37NO — CID 176810700

IUPACN-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc2c(c1)ccc1cc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7ccc8ccccc8c7c6)cc5)c5cccc6oc7ccccc7c56)cc4)cc3)ccc12
InChIInChI=1S/C58H37NO/c1-3-10-50-42(8-1)23-25-47-36-45(30-35-52(47)50)40-18-16-38(17-19-40)39-26-31-48(32-27-39)59(55-13-7-15-57-58(55)53-12-5-6-14-56(53)60-57)49-33-28-41(29-34-49)46-24-22-44-21-20-43-9-2-4-11-51(43)54(44)37-46/h1-37H
InChIKeyBSPMXPDACUQPQT-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.67
Rot. Bonds6

About N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine

N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 176810700) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID176810700
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC NameN-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc2c(c1)ccc1cc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7ccc8ccccc8c7c6)cc5)c5cccc6oc7ccccc7c56)cc4)cc3)ccc12
InChIInChI=1S/C58H37NO/c1-3-10-50-42(8-1)23-25-47-36-45(30-35-52(47)50)40-18-16-38(17-19-40)39-26-31-48(32-27-39)59(55-13-7-15-57-58(55)53-12-5-6-14-56(53)60-57)49-33-28-41(29-34-49)46-24-22-44-21-20-43-9-2-4-11-51(43)54(44)37-46/h1-37H
InChIKeyBSPMXPDACUQPQT-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-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170137179
N-(4-phenanthren-2-ylphenyl)-N-[3-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810721
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170137601
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenanthren-2-ylphenyl)dibenzofuran-1-amine
CID 176810349
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-3-ylphenyl)aniline
CID 176810337
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-dibenzofuran-1-yl-N-(4-phenanthren-3-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-3-amine
CID 176765441
N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810675
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(2-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 176810251
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-(4-dibenzofuran-1-ylphenyl)-N,2-bis(4-phenanthren-3-ylphenyl)aniline
CID 176810395

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine (CID 176810700) is N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine is c1ccc2c(c1)ccc1cc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7ccc8ccccc8c7c6)cc5)c5cccc6oc7ccccc7c56)cc4)cc3)ccc12.
What is the InChIKey of N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is BSPMXPDACUQPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-3-10-50-42(8-1)23-25-47-36-45(30-35-52(47)50)40-18-16-38(17-19-40)39-26-31-48(32-27-39)59(55-13-7-15-57-58(55)53-12-5-6-14-56(53)60-57)49-33-28-41(29-34-49)46-24-22-44-21-20-43-9-2-4-11-51(43)54(44)37-46/h1-37H.
What are the key properties of N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine?
N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-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-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176810700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).