N-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine

C48H34N2O — CID 90129119

IUPACN-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2cc(-c3ccccn3)ccc2-c2c1cc(N(c1cccc(-c3ccccc3)c1)c1cccc3oc4ccccc4c13)c1ccccc21
InChIInChI=1S/C48H34N2O/c1-48(2)39-29-33(41-21-10-11-27-49-41)25-26-37(39)46-36-19-7-6-18-35(36)43(30-40(46)48)50(34-17-12-16-32(28-34)31-14-4-3-5-15-31)42-22-13-24-45-47(42)38-20-8-9-23-44(38)51-45/h3-30H,1-2H3
InChIKeySXSTWVYWQCQUTF-UHFFFAOYSA-N
MW654.81 g/mol
LogP13.24
Rot. Bonds5

About N-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine

N-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine (PubChem CID 90129119) has the molecular formula C48H34N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is N-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine
PubChem CID90129119
Molecular FormulaC48H34N2O
Molecular Weight654.81 g/mol
Exact Mass654.27
IUPAC NameN-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2cc(-c3ccccn3)ccc2-c2c1cc(N(c1cccc(-c3ccccc3)c1)c1cccc3oc4ccccc4c13)c1ccccc21
InChIInChI=1S/C48H34N2O/c1-48(2)39-29-33(41-21-10-11-27-49-41)25-26-37(39)46-36-19-7-6-18-35(36)43(30-40(46)48)50(34-17-12-16-32(28-34)31-14-4-3-5-15-31)42-22-13-24-45-47(42)38-20-8-9-23-44(38)51-45/h3-30H,1-2H3
InChIKeySXSTWVYWQCQUTF-UHFFFAOYSA-N
XLogP13.24
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine (CID 90129119) is N-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine is CC1(C)c2cc(-c3ccccn3)ccc2-c2c1cc(N(c1cccc(-c3ccccc3)c1)c1cccc3oc4ccccc4c13)c1ccccc21.
What is the InChIKey of N-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is SXSTWVYWQCQUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O/c1-48(2)39-29-33(41-21-10-11-27-49-41)25-26-37(39)46-36-19-7-6-18-35(36)43(30-40(46)48)50(34-17-12-16-32(28-34)31-14-4-3-5-15-31)42-22-13-24-45-47(42)38-20-8-9-23-44(38)51-45/h3-30H,1-2H3.
What are the key properties of N-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine?
N-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 654.81 g/mol, XLogP of 13.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-9-pyridin-2-ylbenzo[c]fluoren-5-yl)-N-(3-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 90129119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).