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

C71H43NO — CID 169296213

IUPACN-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)cc2)cc1
InChIInChI=1S/C71H43NO/c1-2-16-44(17-3-1)45-30-33-48(34-31-45)72(49-35-38-60-59-26-12-15-29-66(59)71(67(60)42-49)64-27-13-10-24-57(64)58-25-11-14-28-65(58)71)50-36-39-61-63-40-46-18-4-5-19-51(46)69(70(63)73-68(61)43-50)47-32-37-56-54-22-7-6-20-52(54)53-21-8-9-23-55(53)62(56)41-47/h1-43H
InChIKeyRHZIZEAUXYLPBD-UHFFFAOYSA-N
MW926.13 g/mol
LogP19.35
Rot. Bonds5

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

N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169296213) has the molecular formula C71H43NO and a molecular weight of 926.13 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
PubChem CID169296213
Molecular FormulaC71H43NO
Molecular Weight926.13 g/mol
Exact Mass925.33
IUPAC NameN-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)cc2)cc1
InChIInChI=1S/C71H43NO/c1-2-16-44(17-3-1)45-30-33-48(34-31-45)72(49-35-38-60-59-26-12-15-29-66(59)71(67(60)42-49)64-27-13-10-24-57(64)58-25-11-14-28-65(58)71)50-36-39-61-63-40-46-18-4-5-19-51(46)69(70(63)73-68(61)43-50)47-32-37-56-54-22-7-6-20-52(54)53-21-8-9-23-55(53)62(56)41-47/h1-43H
InChIKeyRHZIZEAUXYLPBD-UHFFFAOYSA-N
XLogP19.35
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.13
LogP ≤ 519.35
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,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295352
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
7-N,19-N-bis(4-phenylphenyl)-7-N,19-N-bis(9,9'-spirobi[fluorene]-2-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303332
N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296132
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295994
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 135277308
6-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295605
N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308450
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295604

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine (CID 169296213) is N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is RHZIZEAUXYLPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H43NO/c1-2-16-44(17-3-1)45-30-33-48(34-31-45)72(49-35-38-60-59-26-12-15-29-66(59)71(67(60)42-49)64-27-13-10-24-57(64)58-25-11-14-28-65(58)71)50-36-39-61-63-40-46-18-4-5-19-51(46)69(70(63)73-68(61)43-50)47-32-37-56-54-22-7-6-20-52(54)53-21-8-9-23-55(53)62(56)41-47/h1-43H.
What are the key properties of N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 926.13 g/mol, XLogP of 19.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169296213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).