6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine

C60H37NO — CID 169295539

IUPAC6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3oc3c(-c5cc6ccccc6c6ccccc56)c5ccccc5cc34)cc2)cc1
InChIInChI=1S/C60H37NO/c1-2-15-38(16-3-1)39-29-31-42(32-30-39)61(43-33-34-52-49-24-10-9-22-47(49)48-23-11-12-25-50(48)54(52)37-43)57-28-14-27-53-56-36-41-18-5-7-20-45(41)58(60(56)62-59(53)57)55-35-40-17-4-6-19-44(40)46-21-8-13-26-51(46)55/h1-37H
InChIKeyRTCTXVAYXADZBT-UHFFFAOYSA-N
MW787.96 g/mol
LogP17.31
Rot. Bonds5

About 6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine

6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 169295539) has the molecular formula C60H37NO and a molecular weight of 787.96 g/mol. Its IUPAC name is 6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound Name6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
PubChem CID169295539
Molecular FormulaC60H37NO
Molecular Weight787.96 g/mol
Exact Mass787.29
IUPAC Name6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3oc3c(-c5cc6ccccc6c6ccccc56)c5ccccc5cc34)cc2)cc1
InChIInChI=1S/C60H37NO/c1-2-15-38(16-3-1)39-29-31-42(32-30-39)61(43-33-34-52-49-24-10-9-22-47(49)48-23-11-12-25-50(48)54(52)37-43)57-28-14-27-53-56-36-41-18-5-7-20-45(41)58(60(56)62-59(53)57)55-35-40-17-4-6-19-44(40)46-21-8-13-26-51(46)55/h1-37H
InChIKeyRTCTXVAYXADZBT-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-naphthalen-2-yl-N-(4-phenylphenyl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296395
N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295286
N,6-di(phenanthren-9-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295898
N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296304
N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 142614505
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289864
6-naphthalen-1-yl-N,N-diphenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296361
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-(4-triphenylen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295211
6-dibenzofuran-4-yl-N-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296238
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295150
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296235
6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732

Frequently Asked Questions

What is the IUPAC name of 6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of 6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine (CID 169295539) is 6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for 6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for 6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3oc3c(-c5cc6ccccc6c6ccccc56)c5ccccc5cc34)cc2)cc1.
What is the InChIKey of 6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is RTCTXVAYXADZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO/c1-2-15-38(16-3-1)39-29-31-42(32-30-39)61(43-33-34-52-49-24-10-9-22-47(49)48-23-11-12-25-50(48)54(52)37-43)57-28-14-27-53-56-36-41-18-5-7-20-45(41)58(60(56)62-59(53)57)55-35-40-17-4-6-19-44(40)46-21-8-13-26-51(46)55/h1-37H.
What are the key properties of 6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine?
6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-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 6-phenanthren-9-yl-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 169295539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).