N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine

C55H37NO — CID 169295312

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)cc21
InChIInChI=1S/C55H37NO/c1-55(2)50-23-13-12-22-45(50)46-28-25-37(32-51(46)55)56(36-15-4-3-5-16-36)38-26-29-47-49-30-34-14-6-7-17-39(34)53(54(49)57-52(47)33-38)35-24-27-44-42-20-9-8-18-40(42)41-19-10-11-21-43(41)48(44)31-35/h3-33H,1-2H3
InChIKeyCTCCQNHQPYJMNG-UHFFFAOYSA-N
MW727.91 g/mol
LogP15.64
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169295312) has the molecular formula C55H37NO and a molecular weight of 727.91 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
PubChem CID169295312
Molecular FormulaC55H37NO
Molecular Weight727.91 g/mol
Exact Mass727.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)cc21
InChIInChI=1S/C55H37NO/c1-55(2)50-23-13-12-22-45(50)46-28-25-37(32-51(46)55)56(36-15-4-3-5-16-36)38-26-29-47-49-30-34-14-6-7-17-39(34)53(54(49)57-52(47)33-38)35-24-27-44-42-20-9-8-18-40(42)41-19-10-11-21-43(41)48(44)31-35/h3-33H,1-2H3
InChIKeyCTCCQNHQPYJMNG-UHFFFAOYSA-N
XLogP15.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 515.64
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,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296132
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295994
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296213
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296063
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295604
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295552
N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295457
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337
9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine
CID 164799796

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine (CID 169295312) is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is CTCCQNHQPYJMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO/c1-55(2)50-23-13-12-22-45(50)46-28-25-37(32-51(46)55)56(36-15-4-3-5-16-36)38-26-29-47-49-30-34-14-6-7-17-39(34)53(54(49)57-52(47)33-38)35-24-27-44-42-20-9-8-18-40(42)41-19-10-11-21-43(41)48(44)31-35/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 727.91 g/mol, XLogP of 15.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169295312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).