N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine

C58H37NO — CID 142614505

IUPACN,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cccc23)cc1
InChIInChI=1S/C58H37NO/c1-2-14-38(15-3-1)47-24-12-25-52-53-26-13-27-56(58(53)60-57(47)52)59(43-32-28-39(29-33-43)54-36-41-16-4-6-18-45(41)48-20-8-10-22-50(48)54)44-34-30-40(31-35-44)55-37-42-17-5-7-19-46(42)49-21-9-11-23-51(49)55/h1-37H
InChIKeyDGITYGPQQCGUMZ-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.67
Rot. Bonds6

About N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine

N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine (PubChem CID 142614505) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
PubChem CID142614505
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC NameN,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cccc23)cc1
InChIInChI=1S/C58H37NO/c1-2-14-38(15-3-1)47-24-12-25-52-53-26-13-27-56(58(53)60-57(47)52)59(43-32-28-39(29-33-43)54-36-41-16-4-6-18-45(41)48-20-8-10-22-50(48)54)44-34-30-40(31-35-44)55-37-42-17-5-7-19-46(42)49-21-9-11-23-51(49)55/h1-37H
InChIKeyDGITYGPQQCGUMZ-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-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397171
N-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396879
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289864
N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
CID 167402206
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167397469
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 167277671
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732
N-(3-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 169007710
6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433049
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-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine?
The IUPAC name of N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine (CID 142614505) is N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine.
What is the SMILES notation for N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine?
The canonical SMILES for N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine is c1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cccc23)cc1.
What is the InChIKey of N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine?
The InChIKey is DGITYGPQQCGUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-2-14-38(15-3-1)47-24-12-25-52-53-26-13-27-56(58(53)60-57(47)52)59(43-32-28-39(29-33-43)54-36-41-16-4-6-18-45(41)48-20-8-10-22-50(48)54)44-34-30-40(31-35-44)55-37-42-17-5-7-19-46(42)49-21-9-11-23-51(49)55/h1-37H.
What are the key properties of N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine?
N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-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,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine is sourced from PubChem (CID 142614505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).