N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine

C62H39NO — CID 169064583

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc6c(c5)oc5c7ccccc7ccc65)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C62H39NO/c1-3-15-43(16-4-1)60-56-22-12-11-21-53(56)54-33-28-45(38-58(54)61(60)44-17-5-2-6-18-44)40-25-29-47(30-26-40)63(48-31-35-51-46(37-48)24-23-41-13-7-9-19-50(41)51)49-32-36-55-57-34-27-42-14-8-10-20-52(42)62(57)64-59(55)39-49/h1-39H
InChIKeyPNXYIIYRVAEKOK-UHFFFAOYSA-N
MW814.00 g/mol
LogP17.82
Rot. Bonds6

About N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 169064583) has the molecular formula C62H39NO and a molecular weight of 814.00 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
PubChem CID169064583
Molecular FormulaC62H39NO
Molecular Weight814.00 g/mol
Exact Mass813.30
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc6c(c5)oc5c7ccccc7ccc65)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C62H39NO/c1-3-15-43(16-4-1)60-56-22-12-11-21-53(56)54-33-28-45(38-58(54)61(60)44-17-5-2-6-18-44)40-25-29-47(30-26-40)63(48-31-35-51-46(37-48)24-23-41-13-7-9-19-50(41)51)49-32-36-55-57-34-27-42-14-8-10-20-52(42)62(57)64-59(55)39-49/h1-39H
InChIKeyPNXYIIYRVAEKOK-UHFFFAOYSA-N
XLogP17.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.00
LogP ≤ 517.82
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-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 169062386
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 169064264
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169063947
N-chrysen-3-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170131049
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 176616609
N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 159997769
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 169063637
N-(4-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277413
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yldibenzofuran-2-amine
CID 169062543
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-2-amine
CID 169064424
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-9-amine
CID 169064165
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169063299

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine (CID 169064583) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc6c(c5)oc5c7ccccc7ccc65)cc4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is PNXYIIYRVAEKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO/c1-3-15-43(16-4-1)60-56-22-12-11-21-53(56)54-33-28-45(38-58(54)61(60)44-17-5-2-6-18-44)40-25-29-47(30-26-40)63(48-31-35-51-46(37-48)24-23-41-13-7-9-19-50(41)51)49-32-36-55-57-34-27-42-14-8-10-20-52(42)62(57)64-59(55)39-49/h1-39H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 814.00 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 169064583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).