N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine

C60H37NO — CID 169007772

IUPACN-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc2cc3c(cc2c1)oc1ccc(N(c2ccc4ccc(-c5cc6ccccc6c6ccccc56)cc4c2)c2cc(-c4cccc5ccccc45)c4ccccc4c2)cc13
InChIInChI=1S/C60H37NO/c1-2-14-41-35-60-57(33-40(41)13-1)58-36-47(28-29-59(58)62-60)61(48-31-42-15-4-8-20-51(42)56(37-48)53-23-11-17-39-12-3-6-18-49(39)53)46-27-26-38-24-25-44(30-45(38)32-46)55-34-43-16-5-7-19-50(43)52-21-9-10-22-54(52)55/h1-37H
InChIKeyOYNFPICBSNQADE-UHFFFAOYSA-N
MW787.96 g/mol
LogP17.31
Rot. Bonds5

About N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine

N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 169007772) has the molecular formula C60H37NO and a molecular weight of 787.96 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine
PubChem CID169007772
Molecular FormulaC60H37NO
Molecular Weight787.96 g/mol
Exact Mass787.29
IUPAC NameN-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc2cc3c(cc2c1)oc1ccc(N(c2ccc4ccc(-c5cc6ccccc6c6ccccc56)cc4c2)c2cc(-c4cccc5ccccc45)c4ccccc4c2)cc13
InChIInChI=1S/C60H37NO/c1-2-14-41-35-60-57(33-40(41)13-1)58-36-47(28-29-59(58)62-60)61(48-31-42-15-4-8-20-51(42)56(37-48)53-23-11-17-39-12-3-6-18-49(39)53)46-27-26-38-24-25-44(30-45(38)32-46)55-34-43-16-5-7-19-50(43)52-21-9-10-22-54(52)55/h1-37H
InChIKeyOYNFPICBSNQADE-UHFFFAOYSA-N
XLogP17.31
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.96
LogP ≤ 517.31
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-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169007177
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007176
N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007692
N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169007089
3-N-dibenzofuran-2-yl-3-N-naphthalen-1-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-naphthalen-2-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 163474764
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007331
N-(8-naphthalen-2-ylnaphthalen-2-yl)-N-phenyldibenzofuran-2-amine
CID 176588075
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-2-amine
CID 167183226
9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 166055376
N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine
CID 176588089
2-[3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 146652604

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine (CID 169007772) is N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine is c1ccc2cc3c(cc2c1)oc1ccc(N(c2ccc4ccc(-c5cc6ccccc6c6ccccc56)cc4c2)c2cc(-c4cccc5ccccc45)c4ccccc4c2)cc13.
What is the InChIKey of N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is OYNFPICBSNQADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO/c1-2-14-41-35-60-57(33-40(41)13-1)58-36-47(28-29-59(58)62-60)61(48-31-42-15-4-8-20-51(42)56(37-48)53-23-11-17-39-12-3-6-18-49(39)53)46-27-26-38-24-25-44(30-45(38)32-46)55-34-43-16-5-7-19-50(43)52-21-9-10-22-54(52)55/h1-37H.
What are the key properties of N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine?
N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine has a molecular weight of 787.96 g/mol, XLogP of 17.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 169007772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).